CAS 2973-78-6 | Benzaldehyde, 3-bromo-4-hydroxy- | CAS Number 2973-78-6

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2973-78-6 | Benzaldehyde, 3-bromo-4-hydroxy-

CAS No: 2973-78-6 Catalog No: AG002Z8T MDL No:MFCD00017348

Product Description

Catalog Number:

AG002Z8T

Chemical Name:

Benzaldehyde, 3-bromo-4-hydroxy-

CAS Number:

2973-78-6

Molecular Formula:

C7H5BrO2

Molecular Weight:

201.0174

MDL Number:

MFCD00017348

IUPAC Name:

3-bromo-4-hydroxybenzaldehyde

InChI:

InChI=1S/C7H5BrO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H

InChI Key:

UOTMHAOCAJROQF-UHFFFAOYSA-N

SMILES:

O=Cc1ccc(c(c1)Br)O

NSC Number:

220227

Properties

Complexity:

127

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

199.947g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

201.019g/mol

Monoisotopic Mass:

199.947g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis of 2H-benzo[b][1,4]oxazin-3(4H)-one derivatives as platelet aggregation inhibitors.	Bioorganic & medicinal chemistry letters 20120101
Synthesis of the marine bromotyrosine psammaplin F and crystal structure of a psammaplin A analogue.	Molecules (Basel, Switzerland) 20101202