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2044-88-4 | Benzenamine, N-methyl-2,4-dinitro-
CAS No: 2044-88-4 Catalog No: AG0029HC MDL No:MFCD00024399
Product Description
Catalog Number:
AG0029HC
Chemical Name:
Benzenamine, N-methyl-2,4-dinitro-
CAS Number:
2044-88-4
Molecular Formula:
C7H7N3O4
Molecular Weight:
197.1482
MDL Number:
MFCD00024399
IUPAC Name:
N-methyl-2,4-dinitroaniline
InChI:
InChI=1S/C7H7N3O4/c1-8-6-3-2-5(9(11)12)4-7(6)10(13)14/h2-4,8H,1H3
InChI Key:
IQEJEZOCXWJNKR-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
UNII:
YMZ75L8MPZ
NSC Number:
36958
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.15g/mol
Monoisotopic Mass:
197.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Simultaneous determination of HCHO, CH3CHO and O(x) in ambient air by hydrazine reagent and hplc. | Annali di chimica 20030101 |
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