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728919-12-8 | 4'-Trifluoromethoxy-biphenyl-3-carboxylic acid
CAS No: 728919-12-8 Catalog No: AG005E4G MDL No:MFCD04117416
Product Description
Catalog Number:
AG005E4G
Chemical Name:
4'-Trifluoromethoxy-biphenyl-3-carboxylic acid
CAS Number:
728919-12-8
Molecular Formula:
C14H9F3O3
Molecular Weight:
282.2147
MDL Number:
MFCD04117416
IUPAC Name:
3-[4-(trifluoromethoxy)phenyl]benzoic acid
InChI:
InChI=1S/C14H9F3O3/c15-14(16,17)20-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(18)19/h1-8H,(H,18,19)
InChI Key:
VUUCZDXUSBMEDB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.05g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.218g/mol
Monoisotopic Mass:
282.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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