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150766-86-2 | [1,1'-Biphenyl]-2-carboxylic acid, 4'-(bromomethyl)-
CAS No: 150766-86-2 Catalog No: AG001MU2 MDL No:MFCD06208233
Product Description
Catalog Number:
AG001MU2
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4'-(bromomethyl)-
CAS Number:
150766-86-2
Molecular Formula:
C14H11BrO2
Molecular Weight:
291.1399
MDL Number:
MFCD06208233
IUPAC Name:
2-[4-(bromomethyl)phenyl]benzoic acid
InChI:
InChI=1S/C14H11BrO2/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14(16)17/h1-8H,9H2,(H,16,17)
InChI Key:
QQHZAARABFGGBY-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)c1ccccc1C(=O)O
Properties
Complexity:
259
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:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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