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1261938-67-3 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3'-(phenylmethoxy)-
CAS No: 1261938-67-3 Catalog No: AG000S79 MDL No:MFCD18322880
Product Description
Catalog Number:
AG000S79
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3'-(phenylmethoxy)-
CAS Number:
1261938-67-3
Molecular Formula:
C20H15ClO3
Molecular Weight:
338.7843
MDL Number:
MFCD18322880
IUPAC Name:
2-chloro-4-(3-phenylmethoxyphenyl)benzoic acid
InChI:
InChI=1S/C20H15ClO3/c21-19-12-16(9-10-18(19)20(22)23)15-7-4-8-17(11-15)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23)
InChI Key:
LYGJVTNOSZNABW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Cl)c1cccc(c1)OCc1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.071g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.787g/mol
Monoisotopic Mass:
338.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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