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1261816-05-0 | Benzenepropanoic acid, 3-bromo-2-chloro-
CAS No: 1261816-05-0 Catalog No: AG000S12 MDL No:
Product Description
Catalog Number:
AG000S12
Chemical Name:
Benzenepropanoic acid, 3-bromo-2-chloro-
CAS Number:
1261816-05-0
Molecular Formula:
C9H8BrClO2
Molecular Weight:
263.5156
IUPAC Name:
3-(3-bromo-2-chlorophenyl)propanoic acid
InChI:
InChI=1S/C9H8BrClO2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-3H,4-5H2,(H,12,13)
InChI Key:
JVZWQWZPVGALCL-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cccc(c1Cl)Br
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.515g/mol
Monoisotopic Mass:
261.94g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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