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Home > Nitro Compounds > 190895-02-4
190895-02-4 | 1,3,5-Triazine, hexahydro-1-nitro-
CAS No: 190895-02-4 Catalog No: AG002EVQ MDL No:
Product Description
Catalog Number:
AG002EVQ
Chemical Name:
1,3,5-Triazine, hexahydro-1-nitro-
CAS Number:
190895-02-4
Molecular Formula:
C3H8N4O2
Molecular Weight:
132.1212
IUPAC Name:
1-nitro-1,3,5-triazinane
InChI:
InChI=1S/C3H8N4O2/c8-7(9)6-2-4-1-5-3-6/h4-5H,1-3H2
InChI Key:
HVEKGVHONRJEQR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)N1CNCNC1
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.065g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
132.123g/mol
Monoisotopic Mass:
132.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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