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Home > Other Building Blocks > 852324-06-2
852324-06-2 | 1H-1,2,4-Triazole-1-carbonylchloride
CAS No: 852324-06-2 Catalog No: AG004M3K MDL No:
Product Description
Catalog Number:
AG004M3K
Chemical Name:
1H-1,2,4-Triazole-1-carbonylchloride
CAS Number:
852324-06-2
Molecular Formula:
C3H2ClN3O
Molecular Weight:
131.5205
IUPAC Name:
1,2,4-triazole-1-carbonyl chloride
InChI:
InChI=1S/C3H2ClN3O/c4-3(8)7-2-5-1-6-7/h1-2H
InChI Key:
UAOYSZNDQTYCJZ-UHFFFAOYSA-N
SMILES:
ClC(=O)n1cncn1
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.989g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.519g/mol
Monoisotopic Mass:
130.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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