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203314-29-8 | Benzeneacetic acid, 2-bromo-5-methyl-
CAS No: 203314-29-8 Catalog No: AG0028U0 MDL No:
Product Description
Catalog Number:
AG0028U0
Chemical Name:
Benzeneacetic acid, 2-bromo-5-methyl-
CAS Number:
203314-29-8
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
IUPAC Name:
2-(2-bromo-5-methylphenyl)acetic acid
InChI:
InChI=1S/C9H9BrO2/c1-6-2-3-8(10)7(4-6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
ZSUNJHLJHAIXLZ-UHFFFAOYSA-N
SMILES:
Cc1cc(CC(=O)O)c(cc1)Br
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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