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Home > Nitro Compounds > 119483-62-4
119483-62-4 | 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-7-nitro-
CAS No: 119483-62-4 Catalog No: AG000IUX MDL No:
Product Description
Catalog Number:
AG000IUX
Chemical Name:
2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-7-nitro-
CAS Number:
119483-62-4
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
IUPAC Name:
4-methyl-7-nitro-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
InChI:
InChI=1S/C10H11N3O3/c1-6-4-10(14)12-8-3-2-7(13(15)16)5-9(8)11-6/h2-3,5-6,11H,4H2,1H3,(H,12,14)
InChI Key:
CTGGQDLTEPKQTE-UHFFFAOYSA-N
SMILES:
CC1CC(=O)Nc2c(N1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.216g/mol
Monoisotopic Mass:
221.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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