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Home > Bromides > 1215206-31-7
1215206-31-7 | [1,1'-Biphenyl]-3-carboxylic acid, 2'-bromo-3'-methyl-
CAS No: 1215206-31-7 Catalog No: AG00156Y MDL No:
Product Description
Catalog Number:
AG00156Y
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2'-bromo-3'-methyl-
CAS Number:
1215206-31-7
Molecular Formula:
C14H11BrO2
Molecular Weight:
291.1399
IUPAC Name:
3-(2-bromo-3-methylphenyl)benzoic acid
InChI:
InChI=1S/C14H11BrO2/c1-9-4-2-7-12(13(9)15)10-5-3-6-11(8-10)14(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
GVRQICXYZWJICO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1cccc(c1Br)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.994g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.144g/mol
Monoisotopic Mass:
289.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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