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893637-96-2 | [1,1'-Biphenyl]-4-carboxylicacid, 4'-chloro-3'-(trifluoromethyl)-
CAS No: 893637-96-2 Catalog No: AG003YWO MDL No:
Product Description
Catalog Number:
AG003YWO
Chemical Name:
[1,1'-Biphenyl]-4-carboxylicacid, 4'-chloro-3'-(trifluoromethyl)-
CAS Number:
893637-96-2
Molecular Formula:
C14H8ClF3O2
Molecular Weight:
300.6603
IUPAC Name:
4-[3-chloro-5-(trifluoromethyl)phenyl]benzoic acid
InChI:
InChI=1S/C14H8ClF3O2/c15-12-6-10(5-11(7-12)14(16,17)18)8-1-3-9(4-2-8)13(19)20/h1-7H,(H,19,20)
InChI Key:
PKOPUAQCPIXJAU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.016g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.661g/mol
Monoisotopic Mass:
300.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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