200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1237080-49-7
1237080-49-7 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-2'-(trifluoromethyl)-
CAS No: 1237080-49-7 Catalog No: AG000KZI MDL No:MFCD18321743
Product Description
Catalog Number:
AG000KZI
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-2'-(trifluoromethyl)-
CAS Number:
1237080-49-7
Molecular Formula:
C14H8ClF3O2
Molecular Weight:
300.6603
MDL Number:
MFCD18321743
IUPAC Name:
2-chloro-4-[2-(trifluoromethyl)phenyl]benzoic acid
InChI:
InChI=1S/C14H8ClF3O2/c15-12-7-8(5-6-10(12)13(19)20)9-3-1-2-4-11(9)14(16,17)18/h1-7H,(H,19,20)
InChI Key:
JMYZJNOSHGYDKU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Cl)c1ccccc1C(F)(F)F
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.016g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.661g/mol
Monoisotopic Mass:
300.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.