200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 101084-96-2
101084-96-2 | Benzonitrile, 2-methoxy-4-nitro-
CAS No: 101084-96-2 Catalog No: AG0003QC MDL No:MFCD02093781
Product Description
Catalog Number:
AG0003QC
Chemical Name:
Benzonitrile, 2-methoxy-4-nitro-
CAS Number:
101084-96-2
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD02093781
IUPAC Name:
2-methoxy-4-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O3/c1-13-8-4-7(10(11)12)3-2-6(8)5-9/h2-4H,1H3
InChI Key:
MLIKCKXLGYEGAO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C#N)[N+](=O)[O-]
NSC Number:
157423
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.