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1262006-62-1 | [1,1'-Biphenyl]-4-carboxylic acid, 4'-methoxy-2-methyl-3'-(trifluoromethyl)-
CAS No: 1262006-62-1 Catalog No: AG000SBX MDL No:MFCD18322799
Product Description
Catalog Number:
AG000SBX
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 4'-methoxy-2-methyl-3'-(trifluoromethyl)-
CAS Number:
1262006-62-1
Molecular Formula:
C16H13F3O3
Molecular Weight:
310.2678
MDL Number:
MFCD18322799
IUPAC Name:
4-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylbenzoic acid
InChI:
InChI=1S/C16H13F3O3/c1-9-7-11(15(20)21)3-5-12(9)10-4-6-14(22-2)13(8-10)16(17,18)19/h3-8H,1-2H3,(H,20,21)
InChI Key:
AJGHDILPTDNSRJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(F)(F)F)c1ccc(cc1C)C(=O)O
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.082g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.272g/mol
Monoisotopic Mass:
310.082g/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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