200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 67302-16-3
67302-16-3 | 2-(6-nitrobenzo[1,3]dioxol-5-yl)acetonitrile
CAS No: 67302-16-3 Catalog No: AG005PEV MDL No:
Product Description
Catalog Number:
AG005PEV
Chemical Name:
2-(6-nitrobenzo[1,3]dioxol-5-yl)acetonitrile
CAS Number:
67302-16-3
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
IUPAC Name:
2-(6-nitro-1,3-benzodioxol-5-yl)acetonitrile
InChI:
InChI=1S/C9H6N2O4/c10-2-1-6-3-8-9(15-5-14-8)4-7(6)11(12)13/h3-4H,1,5H2
InChI Key:
BVTAPDMBLIJZFO-UHFFFAOYSA-N
SMILES:
N#CCc1cc2OCOc2cc1[N+](=O)[O-]
NSC Number:
105302
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.033g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.157g/mol
Monoisotopic Mass:
206.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.