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Home > Nitro Compounds > 7461-16-7
7461-16-7 | N-(2,2-DIMETHYLBUTYL)-2,4,6-TRINITRO-ANILINE
CAS No: 7461-16-7 Catalog No: AG005AM8 MDL No:
Product Description
Catalog Number:
AG005AM8
Chemical Name:
N-(2,2-DIMETHYLBUTYL)-2,4,6-TRINITRO-ANILINE
CAS Number:
7461-16-7
Molecular Formula:
C12H16N4O6
Molecular Weight:
312.2786
IUPAC Name:
N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline
InChI:
InChI=1S/C12H16N4O6/c1-4-12(2,3)7-13-11-9(15(19)20)5-8(14(17)18)6-10(11)16(21)22/h5-6,13H,4,7H2,1-3H3
InChI Key:
FAALGAGROZLSNQ-UHFFFAOYSA-N
SMILES:
CCC(CNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])(C)C
NSC Number:
404782
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.107g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.282g/mol
Monoisotopic Mass:
312.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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