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Home > Nitro Compounds > 835618-50-3
835618-50-3 | 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-7,8,9-trinitro-
CAS No: 835618-50-3 Catalog No: AG004UOS MDL No:
Product Description
Catalog Number:
AG004UOS
Chemical Name:
2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-7,8,9-trinitro-
CAS Number:
835618-50-3
Molecular Formula:
C9H7N5O7
Molecular Weight:
297.1812
IUPAC Name:
6,7,8-trinitro-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
InChI:
InChI=1S/C9H7N5O7/c15-6-1-2-10-4-3-5(12(16)17)8(13(18)19)9(14(20)21)7(4)11-6/h3,10H,1-2H2,(H,11,15)
InChI Key:
VTSWYMKDEGNQCM-UHFFFAOYSA-N
SMILES:
O=C1CCNc2c(N1)c([N+](=O)[O-])c(c(c2)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.035g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.183g/mol
Monoisotopic Mass:
297.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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