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1261960-97-7 | [1,1'-Biphenyl]-3-carboxylic acid, 4'-formyl-5-(trifluoromethyl)-
CAS No: 1261960-97-7 Catalog No: AG000S9M MDL No:MFCD18319262
Product Description
Catalog Number:
AG000S9M
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4'-formyl-5-(trifluoromethyl)-
CAS Number:
1261960-97-7
Molecular Formula:
C15H9F3O3
Molecular Weight:
294.2254
MDL Number:
MFCD18319262
IUPAC Name:
3-(4-formylphenyl)-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C15H9F3O3/c16-15(17,18)13-6-11(5-12(7-13)14(20)21)10-3-1-9(8-19)2-4-10/h1-8H,(H,20,21)
InChI Key:
YDKKMWLRNXCCMN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.05g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.229g/mol
Monoisotopic Mass:
294.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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