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1261921-07-6 | [1,1'-Biphenyl]-2-carboxylic acid, 4'-chloro-3-fluoro-
CAS No: 1261921-07-6 Catalog No: AG000S5V MDL No:MFCD18319927
Product Description
Catalog Number:
AG000S5V
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4'-chloro-3-fluoro-
CAS Number:
1261921-07-6
Molecular Formula:
C13H8ClFO2
Molecular Weight:
250.6528
MDL Number:
MFCD18319927
IUPAC Name:
2-(4-chlorophenyl)-6-fluorobenzoic acid
InChI:
InChI=1S/C13H8ClFO2/c14-9-6-4-8(5-7-9)10-2-1-3-11(15)12(10)13(16)17/h1-7H,(H,16,17)
InChI Key:
SFMAPMJGEJWYBK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cccc(c1C(=O)O)F
Properties
Complexity:
277
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:
3.8
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