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13059-86-4 | Benzenamine, N-butyl-2,4-dinitro-
CAS No: 13059-86-4 Catalog No: AG000UOR MDL No:
Product Description
Catalog Number:
AG000UOR
Chemical Name:
Benzenamine, N-butyl-2,4-dinitro-
CAS Number:
13059-86-4
Molecular Formula:
C10H13N3O4
Molecular Weight:
239.2279
IUPAC Name:
N-butyl-2,4-dinitroaniline
InChI:
InChI=1S/C10H13N3O4/c1-2-3-6-11-9-5-4-8(12(14)15)7-10(9)13(16)17/h4-5,7,11H,2-3,6H2,1H3
InChI Key:
XFLMVRNRVDULNK-UHFFFAOYSA-N
SMILES:
CCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
92781
Properties
Complexity:
274
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:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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