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26476-24-4 | 1H-Tetrazole-1-acetic acid, 5-chloro-, ethyl ester
CAS No: 26476-24-4 Catalog No: AG002TDP MDL No:
Product Description
Catalog Number:
AG002TDP
Chemical Name:
1H-Tetrazole-1-acetic acid, 5-chloro-, ethyl ester
CAS Number:
26476-24-4
Molecular Formula:
C5H7ClN4O2
Molecular Weight:
190.5877
IUPAC Name:
ethyl 2-(5-chlorotetrazol-5-yl)acetate
InChI:
InChI=1S/C5H7ClN4O2/c1-2-12-4(11)3-5(6)7-9-10-8-5/h2-3H2,1H3
InChI Key:
MGKGIOUJZWGLFC-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1nnnc1Cl
EC Number:
607-946-9
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.587g/mol
Monoisotopic Mass:
190.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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