200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 116965-16-3
116965-16-3 | Benzoic acid, 3-nitro-4-(trifluoromethyl)-
CAS No: 116965-16-3 Catalog No: AG000DFZ MDL No:MFCD00274359
Product Description
Catalog Number:
AG000DFZ
Chemical Name:
Benzoic acid, 3-nitro-4-(trifluoromethyl)-
CAS Number:
116965-16-3
Molecular Formula:
C8H4F3NO4
Molecular Weight:
235.1169
MDL Number:
MFCD00274359
IUPAC Name:
3-nitro-4-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H4F3NO4/c9-8(10,11)5-2-1-4(7(13)14)3-6(5)12(15)16/h1-3H,(H,13,14)
InChI Key:
NIWGMOJIGTUDFT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C(F)(F)F)C(=O)O
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.009g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.118g/mol
Monoisotopic Mass:
235.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.