200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 38469-85-1
38469-85-1 | 2-Methoxy-6-nitrobenzonitrile
CAS No: 38469-85-1 Catalog No: AG0038S6 MDL No:
Product Description
Catalog Number:
AG0038S6
Chemical Name:
2-Methoxy-6-nitrobenzonitrile
CAS Number:
38469-85-1
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
IUPAC Name:
2-methoxy-6-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O3/c1-13-8-4-2-3-7(10(11)12)6(8)5-9/h2-4H,1H3
InChI Key:
ZHJPRHIYTNVTLI-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C#N)[N+](=O)[O-]
EC Number:
253-961-5
NSC Number:
27010
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:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.