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Home > Nitro Compounds > 7510-42-1
7510-42-1 | N,N-dimethylaniline; 2,4,6-trinitrophenol
CAS No: 7510-42-1 Catalog No: AG005QME MDL No:
Product Description
Catalog Number:
AG005QME
Chemical Name:
N,N-dimethylaniline; 2,4,6-trinitrophenol
CAS Number:
7510-42-1
Molecular Formula:
C14H14N4O7
Molecular Weight:
350.2836
IUPAC Name:
N,N-dimethylaniline;2,4,6-trinitrophenol
InChI:
InChI=1S/C8H11N.C6H3N3O7/c1-9(2)8-6-4-3-5-7-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-7H,1-2H3;1-2,10H
InChI Key:
MDLMVYKMEGYSOP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.CN(c1ccccc1)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.086g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.287g/mol
Monoisotopic Mass:
350.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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