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2142-63-4 | 3’-Bromoacetophenone
CAS No: 2142-63-4 Catalog No: AG0033MN MDL No:MFCD00000083
Product Description
Catalog Number:
AG0033MN
Chemical Name:
3’-Bromoacetophenone
CAS Number:
2142-63-4
Molecular Formula:
C8H7BrO
Molecular Weight:
199.0446
MDL Number:
MFCD00000083
IUPAC Name:
1-(3-bromophenyl)ethanone
InChI:
InChI=1S/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
InChI Key:
JYAQYXOVOHJRCS-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=O)C
EC Number:
218-396-0
NSC Number:
46620
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.968g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.047g/mol
Monoisotopic Mass:
197.968g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| (E)-1-(3-Bromo-phen-yl)-3-(3,4-dimeth-oxy-phen-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20120301 |
| catena-Poly[[[(2,2'-bipyridine-κN,N')cobalt(II)]-μ-(E)-3,3'-(but-2-ene-2,3-di-yl)dibenzoato-κO,O':O'',O'''] hemihydrate]. | Acta crystallographica. Section E, Structure reports online 20111101 |
| 3,5-dimethylisoxazoles act as acetyl-lysine-mimetic bromodomain ligands. | Journal of medicinal chemistry 20111013 |
| (E)-1-(2,4-Dinitro-phen-yl)-2-(2-fluoro-benzyl-idene)hydrazine. | Acta crystallographica. Section E, Structure reports online 20110501 |
| (1E)-1-(3-Bromo-phen-yl)ethanone 2,4-di-nitro-phenyl-hydrazone. | Acta crystallographica. Section E, Structure reports online 20101101 |
| (2E)-1-(3-Bromo-phen-yl)-3-(6-meth-oxy-2-naphth-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20101001 |
| (E)-3-(Biphenyl-4-yl)-1-(3-bromo-phen-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20091101 |
| (E)-1-(3-Bromo-phen-yl)-3-(4-ethoxy-phen-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20080701 |
| A convenient catalyst system for microwave accelerated cross-coupling of a range of aryl boronic acids with aryl chlorides. | Beilstein journal of organic chemistry 20070101 |
| New chiral ruthenium(II) catalysts containing 2,6-bis(4'-(R)-phenyloxazolin-2'-yl)pyridine (Ph-pybox) ligands for highly enantioselective transfer hydrogenation of ketones. | Chemistry (Weinheim an der Bergstrasse, Germany) 20040123 |
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