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Home > Nitro Compounds > 88638-68-0
88638-68-0 | Benzamide, N-butyl-4-[(2-hydroxy-1-naphthalenyl)azo]-3-nitro-
CAS No: 88638-68-0 Catalog No: AG00492I MDL No:
Product Description
Catalog Number:
AG00492I
Chemical Name:
Benzamide, N-butyl-4-[(2-hydroxy-1-naphthalenyl)azo]-3-nitro-
CAS Number:
88638-68-0
Molecular Formula:
C21H20N4O4
Molecular Weight:
392.4079
IUPAC Name:
N-butyl-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-nitrobenzamide
InChI:
InChI=1S/C21H20N4O4/c1-2-3-12-22-21(27)15-8-10-17(18(13-15)25(28)29)23-24-20-16-7-5-4-6-14(16)9-11-19(20)26/h4-11,13,26H,2-3,12H2,1H3,(H,22,27)
InChI Key:
ZMVKJNGRNWUKSX-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.148g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
392.415g/mol
Monoisotopic Mass:
392.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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