200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1261930-96-4
1261930-96-4 | [1,1'-Biphenyl]-3,3'-dicarboxylic acid, 5-(trifluoromethyl)-
CAS No: 1261930-96-4 Catalog No: AG000S6D MDL No:MFCD18320267
Product Description
Catalog Number:
AG000S6D
Chemical Name:
[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 5-(trifluoromethyl)-
CAS Number:
1261930-96-4
Molecular Formula:
C15H9F3O4
Molecular Weight:
310.2248
MDL Number:
MFCD18320267
IUPAC Name:
3-(3-carboxyphenyl)-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C15H9F3O4/c16-15(17,18)12-6-10(5-11(7-12)14(21)22)8-2-1-3-9(4-8)13(19)20/h1-7H,(H,19,20)(H,21,22)
InChI Key:
JWRDOJUKPATJKE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.045g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.228g/mol
Monoisotopic Mass:
310.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.