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1001067-09-9 | 1H-1,2,4-Triazole-1-carboxylic acid, 3-nitro-, 2-(trimethylsilyl)ethyl ester
CAS No: 1001067-09-9 Catalog No: AG0000YD MDL No:
Product Description
Catalog Number:
AG0000YD
Chemical Name:
1H-1,2,4-Triazole-1-carboxylic acid, 3-nitro-, 2-(trimethylsilyl)ethyl ester
CAS Number:
1001067-09-9
Molecular Formula:
C8H14N4O4Si
Molecular Weight:
258.3067
IUPAC Name:
2-trimethylsilylethyl 3-nitro-1,2,4-triazole-1-carboxylate
InChI:
InChI=1S/C8H14N4O4Si/c1-17(2,3)5-4-16-8(13)11-6-9-7(10-11)12(14)15/h6H,4-5H2,1-3H3
InChI Key:
BHTJYIDOVYPNKR-UHFFFAOYSA-N
SMILES:
O=C(n1cnc(n1)[N+](=O)[O-])OCC[Si](C)(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.309g/mol
Monoisotopic Mass:
258.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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