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1261922-99-9 | [1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro-2,4'-difluoro-
CAS No: 1261922-99-9 Catalog No: AG000S5Q MDL No:MFCD18321030
Product Description
Catalog Number:
AG000S5Q
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro-2,4'-difluoro-
CAS Number:
1261922-99-9
Molecular Formula:
C13H7ClF2O2
Molecular Weight:
268.6433
MDL Number:
MFCD18321030
IUPAC Name:
4-(3-chloro-4-fluorophenyl)-3-fluorobenzoic acid
InChI:
InChI=1S/C13H7ClF2O2/c14-10-5-7(2-4-11(10)15)9-3-1-8(13(17)18)6-12(9)16/h1-6H,(H,17,18)
InChI Key:
NVIGYHZIXCUAIE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)F)c1ccc(c(c1)Cl)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:
4.9
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