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Home > Nitro Compounds > 2853-87-4
2853-87-4 | 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-5-(4-nitrophenyl)-
CAS No: 2853-87-4 Catalog No: AG002VMZ MDL No:
Product Description
Catalog Number:
AG002VMZ
Chemical Name:
2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-5-(4-nitrophenyl)-
CAS Number:
2853-87-4
Molecular Formula:
C15H13N3O3
Molecular Weight:
283.2820
IUPAC Name:
5-(4-nitrophenyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
InChI:
InChI=1S/C15H13N3O3/c19-14-9-16-15(12-3-1-2-4-13(12)17-14)10-5-7-11(8-6-10)18(20)21/h1-8,15-16H,9H2,(H,17,19)
InChI Key:
RHZMQOVEDSFSFC-UHFFFAOYSA-N
SMILES:
O=C1CNC(c2c(N1)cccc2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.287g/mol
Monoisotopic Mass:
283.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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