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1195821-09-0 | [1,1':4',1''-Terphenyl]-4-carboxylic acid, 2',3,5-trifluoro-4''-propyl-
CAS No: 1195821-09-0 Catalog No: AG000IZA MDL No:MFCD22377554
Product Description
Catalog Number:
AG000IZA
Chemical Name:
[1,1':4',1''-Terphenyl]-4-carboxylic acid, 2',3,5-trifluoro-4''-propyl-
CAS Number:
1195821-09-0
Molecular Formula:
C22H17F3O2
Molecular Weight:
370.3644
MDL Number:
MFCD22377554
IUPAC Name:
2,6-difluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]benzoic acid
InChI:
InChI=1S/C22H17F3O2/c1-2-3-13-4-6-14(7-5-13)15-8-9-17(18(23)10-15)16-11-19(24)21(22(26)27)20(25)12-16/h4-12H,2-3H2,1H3,(H,26,27)
InChI Key:
VJJGOAJTDWSDMB-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)c1ccc(c(c1)F)c1cc(F)c(c(c1)F)C(=O)O
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.118g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.371g/mol
Monoisotopic Mass:
370.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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