200,000+ products from a single source!
sales@angenechem.com
181772-16-7 | Benzenepropanoic acid, 3,5-bis(trifluoromethyl)-
CAS No: 181772-16-7 Catalog No: AG00233H MDL No:MFCD00674033
Product Description
Catalog Number:
AG00233H
Chemical Name:
Benzenepropanoic acid, 3,5-bis(trifluoromethyl)-
CAS Number:
181772-16-7
Molecular Formula:
C11H8F6O2
Molecular Weight:
286.1704
MDL Number:
MFCD00674033
IUPAC Name:
3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid
InChI:
InChI=1S/C11H8F6O2/c12-10(13,14)7-3-6(1-2-9(18)19)4-8(5-7)11(15,16)17/h3-5H,1-2H2,(H,18,19)
InChI Key:
LISLXJGPJUAEHU-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.043g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.173g/mol
Monoisotopic Mass:
286.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.