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88638-67-9 | Benzamide, 4-amino-N-butyl-3-nitro-
CAS No: 88638-67-9 Catalog No: AG004AEB MDL No:
Product Description
Catalog Number:
AG004AEB
Chemical Name:
Benzamide, 4-amino-N-butyl-3-nitro-
CAS Number:
88638-67-9
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
IUPAC Name:
4-amino-N-butyl-3-nitrobenzamide
InChI:
InChI=1S/C11H15N3O3/c1-2-3-6-13-11(15)8-4-5-9(12)10(7-8)14(16)17/h4-5,7H,2-3,6,12H2,1H3,(H,13,15)
InChI Key:
VBHLZPJIWGYVOM-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1ccc(c(c1)[N+](=O)[O-])N
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.259g/mol
Monoisotopic Mass:
237.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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