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Home > Nitro Compounds > 666179-35-7
666179-35-7 | 1,3,5-Triazine, 2-(trinitromethyl)-
CAS No: 666179-35-7 Catalog No: AG00H7X1 MDL No:
Product Description
Catalog Number:
AG00H7X1
Chemical Name:
1,3,5-Triazine, 2-(trinitromethyl)-
CAS Number:
666179-35-7
Molecular Formula:
C4H2N6O6
Molecular Weight:
230.0953
IUPAC Name:
2-(trinitromethyl)-1,3,5-triazine
InChI:
InChI=1S/C4H2N6O6/c11-8(12)4(9(13)14,10(15)16)3-6-1-5-2-7-3/h1-2H
InChI Key:
ATJLPJVCXWKNHQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(c1ncncn1)([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.004g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.096g/mol
Monoisotopic Mass:
230.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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