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81581-11-5 |
CAS No: 81581-11-5 Catalog No: AG01FN4H MDL No:
Product Description
Catalog Number:
AG01FN4H
CAS Number:
81581-11-5
IUPAC Name:
ethyl 5-chloro-2H-triazole-4-carboxylate
InChI:
InChI=1S/C5H6ClN3O2/c1-2-11-5(10)3-4(6)8-9-7-3/h2H2,1H3,(H,7,8,9)
InChI Key:
SZXVQNOLKJJDGL-UHFFFAOYSA-N
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.572g/mol
Monoisotopic Mass:
175.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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