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Home > Nitro Compounds > 88382-11-0
88382-11-0 | Benzamide, N-hydroxy-N-[1-(1-methylethyl)-3-butenyl]-4-nitro-
CAS No: 88382-11-0 Catalog No: AG004IM1 MDL No:
Product Description
Catalog Number:
AG004IM1
Chemical Name:
Benzamide, N-hydroxy-N-[1-(1-methylethyl)-3-butenyl]-4-nitro-
CAS Number:
88382-11-0
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
IUPAC Name:
N-hydroxy-N-(2-methylhex-5-en-3-yl)-4-nitrobenzamide
InChI:
InChI=1S/C14H18N2O4/c1-4-5-13(10(2)3)15(18)14(17)11-6-8-12(9-7-11)16(19)20/h4,6-10,13,18H,1,5H2,2-3H3
InChI Key:
LXKRJIGRGFNEKY-UHFFFAOYSA-N
SMILES:
C=CCC(N(C(=O)c1ccc(cc1)[N+](=O)[O-])O)C(C)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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