200,000+ products from a single source!
sales@angenechem.com
20566-80-7 | Benzonitrile, 3-nitro-5-(trifluoromethyl)-
CAS No: 20566-80-7 Catalog No: AG002A9F MDL No:MFCD03412207
Product Description
Catalog Number:
AG002A9F
Chemical Name:
Benzonitrile, 3-nitro-5-(trifluoromethyl)-
CAS Number:
20566-80-7
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
MDL Number:
MFCD03412207
IUPAC Name:
3-nitro-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3F3N2O2/c9-8(10,11)6-1-5(4-12)2-7(3-6)13(14)15/h1-3H
InChI Key:
FSQINZQIPFZWKX-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.119g/mol
Monoisotopic Mass:
216.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.