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Home > Nitro Compounds > 26621-42-1
26621-42-1 | 1H-Tetrazole, 1-methyl-5-nitro-
CAS No: 26621-42-1 Catalog No: AG002TUS MDL No:
Product Description
Catalog Number:
AG002TUS
Chemical Name:
1H-Tetrazole, 1-methyl-5-nitro-
CAS Number:
26621-42-1
Molecular Formula:
C2H3N5O2
Molecular Weight:
129.0775
IUPAC Name:
1-methyl-5-nitrotetrazole
InChI:
InChI=1S/C2H3N5O2/c1-6-2(7(8)9)3-4-5-6/h1H3
InChI Key:
BRQHIYFWWHUEQK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nnnn1C
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.029g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.079g/mol
Monoisotopic Mass:
129.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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