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Home > Bromides > 1261438-67-8
1261438-67-8 | Benzeneacetic acid, 3-bromo-2-chloro-
CAS No: 1261438-67-8 Catalog No: AG000RQG MDL No:
Product Description
Catalog Number:
AG000RQG
Chemical Name:
Benzeneacetic acid, 3-bromo-2-chloro-
CAS Number:
1261438-67-8
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
IUPAC Name:
2-(3-bromo-2-chlorophenyl)acetic acid
InChI:
InChI=1S/C8H6BrClO2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12)
InChI Key:
IEIASDIYIMXQEK-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1Cl)Br
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.924g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.488g/mol
Monoisotopic Mass:
247.924g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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