200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1247885-40-0
1247885-40-0 | Benzonitrile, 2,3-difluoro-5-nitro-
CAS No: 1247885-40-0 Catalog No: AG000MQQ MDL No:MFCD24038781
Product Description
Catalog Number:
AG000MQQ
Chemical Name:
Benzonitrile, 2,3-difluoro-5-nitro-
CAS Number:
1247885-40-0
Molecular Formula:
C7H2F2N2O2
Molecular Weight:
184.0998
MDL Number:
MFCD24038781
IUPAC Name:
2,3-difluoro-5-nitrobenzonitrile
InChI:
InChI=1S/C7H2F2N2O2/c8-6-2-5(11(12)13)1-4(3-10)7(6)9/h1-2H
InChI Key:
SREQFLXKAOEIEW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1F)F)[N+](=O)[O-]
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.102g/mol
Monoisotopic Mass:
184.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.