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Home > Nitro Compounds > 835618-49-0
835618-49-0 | 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-7,8,9-trinitro-
CAS No: 835618-49-0 Catalog No: AG0057NR MDL No:
Product Description
Catalog Number:
AG0057NR
Chemical Name:
2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-7,8,9-trinitro-
CAS Number:
835618-49-0
Molecular Formula:
C10H9N5O7
Molecular Weight:
311.2078
IUPAC Name:
2-methyl-6,7,8-trinitro-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
InChI:
InChI=1S/C10H9N5O7/c1-4-2-7(16)12-8-5(11-4)3-6(13(17)18)9(14(19)20)10(8)15(21)22/h3-4,11H,2H2,1H3,(H,12,16)
InChI Key:
GEDRINGIGBPDPX-UHFFFAOYSA-N
SMILES:
CC1CC(=O)Nc2c(N1)cc([N+](=O)[O-])c(c2[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.05g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.21g/mol
Monoisotopic Mass:
311.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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