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18698-97-0 | 2-(2-Bromophenyl)acetic acid
CAS No: 18698-97-0 Catalog No: AG00336R MDL No:MFCD00004314
Product Description
Catalog Number:
AG00336R
Chemical Name:
2-(2-Bromophenyl)acetic acid
CAS Number:
18698-97-0
Molecular Formula:
C8H7BrO2
Molecular Weight:
215.0440
MDL Number:
MFCD00004314
IUPAC Name:
2-(2-bromophenyl)acetic acid
InChI:
InChI=1S/C8H7BrO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
DWXSYDKEWORWBT-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccccc1Br
EC Number:
242-509-2
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.963g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.046g/mol
Monoisotopic Mass:
213.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| 2-(2-Bromo-phen-yl)acetic acid. | Acta crystallographica. Section E, Structure reports online 20120601 |
| Microbial hydroxylation of o-bromophenylacetic acid: synthesis of 4-substituted-2,3-dihydrobenzofurans. | Journal of industrial microbiology & biotechnology 20080801 |
| Synthesis of novel 1,4,7,10-tetraazacyclodecane-1,4,7,10-tetraacetic acid (DOTA) derivatives for chemoselective attachment to unprotected polyfunctionalized compounds. | Chemistry (Weinheim an der Bergstrasse, Germany) 20070101 |
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