200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1016843-83-6
1016843-83-6 | Benzenepropanenitrile, 4-methyl-3-nitro-β-oxo-
CAS No: 1016843-83-6 Catalog No: AG00057J MDL No:MFCD09941734
Product Description
Catalog Number:
AG00057J
Chemical Name:
Benzenepropanenitrile, 4-methyl-3-nitro-β-oxo-
CAS Number:
1016843-83-6
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD09941734
IUPAC Name:
3-(4-methyl-3-nitrophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C10H8N2O3/c1-7-2-3-8(10(13)4-5-11)6-9(7)12(14)15/h2-3,6H,4H2,1H3
InChI Key:
JTCWLEYXMQKFQI-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.