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15115-58-9 | Benzenepropanoic acid, 2-bromo-
CAS No: 15115-58-9 Catalog No: AG001N4S MDL No:MFCD01310791
Product Description
Catalog Number:
AG001N4S
Chemical Name:
Benzenepropanoic acid, 2-bromo-
CAS Number:
15115-58-9
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD01310791
IUPAC Name:
3-(2-bromophenyl)propanoic acid
InChI:
InChI=1S/C9H9BrO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)
InChI Key:
AOACQJFIGWNQBC-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccccc1Br
NSC Number:
243189
Properties
Complexity:
159
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:
2.4
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