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1261893-13-3 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3'-fluoro-4'-methyl-
CAS No: 1261893-13-3 Catalog No: AG000S45 MDL No:MFCD18319643
Product Description
Catalog Number:
AG000S45
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3'-fluoro-4'-methyl-
CAS Number:
1261893-13-3
Molecular Formula:
C14H10ClFO2
Molecular Weight:
264.6794
MDL Number:
MFCD18319643
IUPAC Name:
2-chloro-4-(3-fluoro-4-methylphenyl)benzoic acid
InChI:
InChI=1S/C14H10ClFO2/c1-8-2-3-10(7-13(8)16)9-4-5-11(14(17)18)12(15)6-9/h2-7H,1H3,(H,17,18)
InChI Key:
XUTAVZFTNYZTEU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Cl)c1ccc(c(c1)F)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.68g/mol
Monoisotopic Mass:
264.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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