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81962-53-0 | Benzenamine, N-(2,2-dimethoxyethyl)-4-methyl-2,6-dinitro-
CAS No: 81962-53-0 Catalog No: AG005GAN MDL No:
Product Description
Catalog Number:
AG005GAN
Chemical Name:
Benzenamine, N-(2,2-dimethoxyethyl)-4-methyl-2,6-dinitro-
CAS Number:
81962-53-0
Molecular Formula:
C11H15N3O6
Molecular Weight:
285.2533
IUPAC Name:
N-(2,2-dimethoxyethyl)-4-methyl-2,6-dinitroaniline
InChI:
InChI=1S/C11H15N3O6/c1-7-4-8(13(15)16)11(9(5-7)14(17)18)12-6-10(19-2)20-3/h4-5,10,12H,6H2,1-3H3
InChI Key:
GXBABWDXXLVWSV-UHFFFAOYSA-N
SMILES:
COC(CNc1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-])OC
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.256g/mol
Monoisotopic Mass:
285.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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