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248920-11-8 | Benzeneacetic acid, 2-bromo-3-methyl-
CAS No: 248920-11-8 Catalog No: AG002PRD MDL No:MFCD18392219
Product Description
Catalog Number:
AG002PRD
Chemical Name:
Benzeneacetic acid, 2-bromo-3-methyl-
CAS Number:
248920-11-8
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD18392219
IUPAC Name:
2-(2-bromo-3-methylphenyl)acetic acid
InChI:
InChI=1S/C9H9BrO2/c1-6-3-2-4-7(9(6)10)5-8(11)12/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
JZMWDWZVHXNEEF-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1Br)CC(=O)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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