200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 39053-46-8
39053-46-8 | Benzonitrile, 2,4-dimethyl-3-nitro-
CAS No: 39053-46-8 Catalog No: AG00I7PT MDL No:
Product Description
Catalog Number:
AG00I7PT
Chemical Name:
Benzonitrile, 2,4-dimethyl-3-nitro-
CAS Number:
39053-46-8
IUPAC Name:
2,4-dimethyl-3-nitrobenzonitrile
InChI:
InChI=1S/C9H8N2O2/c1-6-3-4-8(5-10)7(2)9(6)11(12)13/h3-4H,1-2H3
InChI Key:
LCZSWXDYLOPJRO-UHFFFAOYSA-N
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^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.