200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 125910-77-2
125910-77-2 | 1H-1,5-Benzodiazepine, 2,4-dimethyl-7-nitro-
CAS No: 125910-77-2 Catalog No: AG000OYI MDL No:
Product Description
Catalog Number:
AG000OYI
Chemical Name:
1H-1,5-Benzodiazepine, 2,4-dimethyl-7-nitro-
CAS Number:
125910-77-2
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
IUPAC Name:
2,4-dimethyl-8-nitro-1H-1,5-benzodiazepine
InChI:
InChI=1S/C11H11N3O2/c1-7-5-8(2)13-11-6-9(14(15)16)3-4-10(11)12-7/h3-6,13H,1-2H3
InChI Key:
RIOVRGVAGPKZGH-UHFFFAOYSA-N
SMILES:
CC1=CC(=Nc2c(N1)ccc(c2)[N+](=O)[O-])C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.