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1261956-79-9 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3',4'-difluoro-
CAS No: 1261956-79-9 Catalog No: AG000S8K MDL No:MFCD18319972
Product Description
Catalog Number:
AG000S8K
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3',4'-difluoro-
CAS Number:
1261956-79-9
Molecular Formula:
C13H7ClF2O2
Molecular Weight:
268.6433
MDL Number:
MFCD18319972
IUPAC Name:
2-chloro-4-(3,4-difluorophenyl)benzoic acid
InChI:
InChI=1S/C13H7ClF2O2/c14-10-5-7(1-3-9(10)13(17)18)8-2-4-11(15)12(16)6-8/h1-6H,(H,17,18)
InChI Key:
SPJCVBACFLZVGJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Cl)c1ccc(c(c1)F)F
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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