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Home > Nitro Compounds > 967-35-1
967-35-1 | N1-(4-methoxyphenyl)-2,4-dinitroaniline
CAS No: 967-35-1 Catalog No: AG01CAVC MDL No:MFCD00024394
Product Description
Catalog Number:
AG01CAVC
Chemical Name:
N1-(4-methoxyphenyl)-2,4-dinitroaniline
CAS Number:
967-35-1
Molecular Formula:
C13H11N3O5
Molecular Weight:
289.2435
MDL Number:
MFCD00024394
IUPAC Name:
N-(4-methoxyphenyl)-2,4-dinitroaniline
InChI:
InChI=1S/C13H11N3O5/c1-21-11-5-2-9(3-6-11)14-12-7-4-10(15(17)18)8-13(12)16(19)20/h2-8,14H,1H3
InChI Key:
CXYDBMSOXLXDAC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
92801
Properties
Complexity:
373
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| 4-(Arylamino)phenyl alpha-D-glucopyranosides as potential anti-HIV agents. | Carbohydrate research 19960318 |
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