200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 114071-23-7
114071-23-7 | Benzoic acid, 2,4,6-tris(trifluoromethyl)-, methyl ester
CAS No: 114071-23-7 Catalog No: AG000AGN MDL No:MFCD28396351
Product Description
Catalog Number:
AG000AGN
Chemical Name:
Benzoic acid, 2,4,6-tris(trifluoromethyl)-, methyl ester
CAS Number:
114071-23-7
Molecular Formula:
C11H5F9O2
Molecular Weight:
340.1418
MDL Number:
MFCD28396351
IUPAC Name:
methyl 2,4,6-tris(trifluoromethyl)benzoate
InChI:
InChI=1S/C11H5F9O2/c1-22-8(21)7-5(10(15,16)17)2-4(9(12,13)14)3-6(7)11(18,19)20/h2-3H,1H3
InChI Key:
XMCQPYVFIVJGIH-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(cc(cc1C(F)(F)F)C(F)(F)F)C(F)(F)F
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.015g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.145g/mol
Monoisotopic Mass:
340.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.