Home Other Building Blocks 2,4-DINITRO-2'-METHOXYDIPHENYLAMINE

2,4-DINITRO-2'-METHOXYDIPHENYLAMINE

CAS No.:
14038-08-5
Catalog Number:
AG00AG6B
Molecular Formula:
C13H11N3O5
Molecular Weight:
289.2435
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Product Description
Catalog Number:
AG00AG6B
Chemical Name:
2,4-DINITRO-2'-METHOXYDIPHENYLAMINE
CAS Number:
14038-08-5
Molecular Formula:
C13H11N3O5
Molecular Weight:
289.2435
MDL Number:
MFCD00024384
IUPAC Name:
N-(2-methoxyphenyl)-2,4-dinitroaniline
InChI:
InChI=1S/C13H11N3O5/c1-21-13-5-3-2-4-11(13)14-10-7-6-9(15(17)18)8-12(10)16(19)20/h2-8,14H,1H3
InChI Key:
MSTPRMHOPCALQB-UHFFFAOYSA-N
SMILES:
COc1ccccc1Nc1ccc(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:
3.6  
Properties