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Home > Nitro Compounds > 145769-55-7
145769-55-7 | 1H-1,2,3-Triazole-4-carbonyl chloride, 5-nitro-
CAS No: 145769-55-7 Catalog No: AG001DDM MDL No:
Product Description
Catalog Number:
AG001DDM
Chemical Name:
1H-1,2,3-Triazole-4-carbonyl chloride, 5-nitro-
CAS Number:
145769-55-7
Molecular Formula:
C3HClN4O3
Molecular Weight:
176.5180
IUPAC Name:
5-nitro-2H-triazole-4-carbonyl chloride
InChI:
InChI=1S/C3HClN4O3/c4-2(9)1-3(8(10)11)6-7-5-1/h(H,5,6,7)
InChI Key:
DVDPACIUVRQNOI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1[nH]nnc1C(=O)Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.974g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.516g/mol
Monoisotopic Mass:
175.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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