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13737-36-5 | Benzeneacetic acid, 4-(bromomethyl)-
CAS No: 13737-36-5 Catalog No: AG00136U MDL No:MFCD00010632
Product Description
Catalog Number:
AG00136U
Chemical Name:
Benzeneacetic acid, 4-(bromomethyl)-
CAS Number:
13737-36-5
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD00010632
IUPAC Name:
2-[4-(bromomethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H9BrO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChI Key:
WCOCCXZFEJGHTC-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)CC(=O)O
Properties
Complexity:
151
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:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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