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1261970-29-9 | [1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro-2,5'-difluoro-
CAS No: 1261970-29-9 Catalog No: AG000SAB MDL No:MFCD18320999
Product Description
Catalog Number:
AG000SAB
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro-2,5'-difluoro-
CAS Number:
1261970-29-9
Molecular Formula:
C13H7ClF2O2
Molecular Weight:
268.6433
MDL Number:
MFCD18320999
IUPAC Name:
4-(3-chloro-5-fluorophenyl)-3-fluorobenzoic acid
InChI:
InChI=1S/C13H7ClF2O2/c14-9-3-8(4-10(15)6-9)11-2-1-7(13(17)18)5-12(11)16/h1-6H,(H,17,18)
InChI Key:
VLBASAJZSPEHPF-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)cc(c1)c1ccc(cc1F)C(=O)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.01g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.644g/mol
Monoisotopic Mass:
268.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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