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1261959-57-2 | [1,1'-Biphenyl]-3-carboxylic acid, 2'-chloro-5-fluoro-
CAS No: 1261959-57-2 Catalog No: AG000S9Q MDL No:MFCD18319882
Product Description
Catalog Number:
AG000S9Q
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2'-chloro-5-fluoro-
CAS Number:
1261959-57-2
Molecular Formula:
C13H8ClFO2
Molecular Weight:
250.6528
MDL Number:
MFCD18319882
IUPAC Name:
3-(2-chlorophenyl)-5-fluorobenzoic acid
InChI:
InChI=1S/C13H8ClFO2/c14-12-4-2-1-3-11(12)8-5-9(13(16)17)7-10(15)6-8/h1-7H,(H,16,17)
InChI Key:
VPNWVZMPKJJAQB-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)c1ccccc1Cl)C(=O)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.02g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.653g/mol
Monoisotopic Mass:
250.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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