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Home > Bromides > 1215205-67-6
1215205-67-6 | [1,1'-Biphenyl]-3-carboxylic acid, 2'-bromo-5'-methoxy-
CAS No: 1215205-67-6 Catalog No: AG00155K MDL No:MFCD15143525
Product Description
Catalog Number:
AG00155K
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2'-bromo-5'-methoxy-
CAS Number:
1215205-67-6
Molecular Formula:
C14H11BrO3
Molecular Weight:
307.1393
MDL Number:
MFCD15143525
IUPAC Name:
3-(2-bromo-5-methoxyphenyl)benzoic acid
InChI:
InChI=1S/C14H11BrO3/c1-18-11-5-6-13(15)12(8-11)9-3-2-4-10(7-9)14(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
PNVILPFIXBRYAL-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)c1cccc(c1)C(=O)O)Br
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.989g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.143g/mol
Monoisotopic Mass:
305.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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