CAS 3132-99-8 | 3-Bromobenzaldehyde | CAS Number 3132-99-8

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3132-99-8 | 3-Bromobenzaldehyde

CAS No: 3132-99-8 Catalog No: AG0033MO MDL No:MFCD00003345

Product Description

Catalog Number:

AG0033MO

Chemical Name:

3-Bromobenzaldehyde

CAS Number:

3132-99-8

Molecular Formula:

C7H5BrO

Molecular Weight:

185.0180

MDL Number:

MFCD00003345

IUPAC Name:

3-bromobenzaldehyde

InChI:

InChI=1S/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H

InChI Key:

SUISZCALMBHJQX-UHFFFAOYSA-N

SMILES:

O=Cc1cccc(c1)Br

EC Number:

221-526-9

UNII:

W0ARD2ZJ82

NSC Number:

66828

Properties

Complexity:

103

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

183.952g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

185.02g/mol

Monoisotopic Mass:

183.952g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
{2-[(3-Bromo-benzyl-idene)amino]-5-chloro-phen-yl}(phen-yl)methanone.	Acta crystallographica. Section E, Structure reports online 20120301
Ethyl 4-(3-bromo-phen-yl)-6-methyl-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20101201
Synthesis of stilbene-fused 2'-hydroxychalcones and flavanones.	Bioorganic chemistry 20100801
3-(3-Bromo-phen-yl)-N-phenyl-oxirane-2-carboxamide.	Acta crystallographica. Section E, Structure reports online 20091201
(E)-Ethyl 3-(3-bromo-phen-yl)-2-cyano-acrylate.	Acta crystallographica. Section E, Structure reports online 20091101
(2E)-3-(3-Bromo-phen-yl)-1-(4-chloro-phen-yl)prop-2-en-1-one: a non-merohedral twin.	Acta crystallographica. Section E, Structure reports online 20090801
(E)-1-(1,3-Benzodioxol-5-yl)-3-(3-bromo-phen-yl)prop-2-en-1-one.	Acta crystallographica. Section E, Structure reports online 20081201
(E)-3-(3-Bromo-phen-yl)-1-(4-methyl-phenyl)prop-2-en-1-one.	Acta crystallographica. Section E, Structure reports online 20081101
3,3'-Dibromo-1,1'-[ethyl-enedioxy-bis(nitrilo-methyl-idyne)]dibenzene.	Acta crystallographica. Section E, Structure reports online 20080801
3,3'-Dibromo-1,1'-[(propane-1,3-diyl-dioxy)-bis(nitrilo-methyl-idyne)]dibenzene.	Acta crystallographica. Section E, Structure reports online 20080701
Thyroid receptor ligands. Part 7: Indirect antagonists of the thyroid hormone receptor with improved affinity.	Bioorganic & medicinal chemistry letters 20070401
Friedländer approach for the incorporation of 6-bromoquinoline into novel chelating ligands.	Organic letters 20030626
Antiparallel pleated beta-sheets observed in crystal structures of N,N-bis(trichloroacetyl) and N,N-bis(m-bromobenzoyl) gramicidin S.	Archives of biochemistry and biophysics 20011101