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1262005-93-5 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-chloro-6-fluoro-
CAS No: 1262005-93-5 Catalog No: AG000SC1 MDL No:MFCD18319904
Product Description
Catalog Number:
AG000SC1
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-chloro-6-fluoro-
CAS Number:
1262005-93-5
Molecular Formula:
C13H8ClFO2
Molecular Weight:
250.6528
MDL Number:
MFCD18319904
IUPAC Name:
3-(3-chlorophenyl)-4-fluorobenzoic acid
InChI:
InChI=1S/C13H8ClFO2/c14-10-3-1-2-8(6-10)11-7-9(13(16)17)4-5-12(11)15/h1-7H,(H,16,17)
InChI Key:
DBZUPISCYQCHEO-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1cc(ccc1F)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:
4.1
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