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13059-88-6 | Benzenamine, N-(2-methylpropyl)-2,4-dinitro-
CAS No: 13059-88-6 Catalog No: AG000UOQ MDL No:
Product Description
Catalog Number:
AG000UOQ
Chemical Name:
Benzenamine, N-(2-methylpropyl)-2,4-dinitro-
CAS Number:
13059-88-6
Molecular Formula:
C10H13N3O4
Molecular Weight:
239.2279
IUPAC Name:
N-(2-methylpropyl)-2,4-dinitroaniline
InChI:
InChI=1S/C10H13N3O4/c1-7(2)6-11-9-4-3-8(12(14)15)5-10(9)13(16)17/h3-5,7,11H,6H2,1-2H3
InChI Key:
HYHCZHIKPLOGQR-UHFFFAOYSA-N
SMILES:
CC(CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.231g/mol
Monoisotopic Mass:
239.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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