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14038-09-6

14038-09-6 | Benzenamine, N-(3-methoxyphenyl)-2,4-dinitro-

CAS No: 14038-09-6 Catalog No: AG001CBT MDL No:

Product Description

Catalog Number:
AG001CBT
Chemical Name:
Benzenamine, N-(3-methoxyphenyl)-2,4-dinitro-
CAS Number:
14038-09-6
Molecular Formula:
C13H11N3O5
Molecular Weight:
289.2435
IUPAC Name:
N-(3-methoxyphenyl)-2,4-dinitroaniline
InChI:
InChI=1S/C13H11N3O5/c1-21-11-4-2-3-9(7-11)14-12-6-5-10(15(17)18)8-13(12)16(19)20/h2-8,14H,1H3
InChI Key:
WQUJWAFXGOBBCX-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

Properties

Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.07g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
289.247g/mol
Monoisotopic Mass:
289.07g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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