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119643-83-3 | Benzamide, 5-(1-aziridinyl)-2-(hydroxyamino)-4-nitro-
CAS No: 119643-83-3 Catalog No: AG000PE1 MDL No:
Product Description
Catalog Number:
AG000PE1
Chemical Name:
Benzamide, 5-(1-aziridinyl)-2-(hydroxyamino)-4-nitro-
CAS Number:
119643-83-3
Molecular Formula:
C9H10N4O4
Molecular Weight:
238.2001
IUPAC Name:
5-(aziridin-1-yl)-2-(hydroxyamino)-4-nitrobenzamide
InChI:
InChI=1S/C9H10N4O4/c10-9(14)5-3-7(12-1-2-12)8(13(16)17)4-6(5)11-15/h3-4,11,15H,1-2H2,(H2,10,14)
InChI Key:
LQYDLQVLLUVETH-UHFFFAOYSA-N
SMILES:
ONc1cc([N+](=O)[O-])c(cc1C(=O)N)N1CC1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
238.203g/mol
Monoisotopic Mass:
238.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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