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89544-36-5 | Methanone, (5-chloro-2-pyridinyl)(1-methyl-1H-tetrazol-5-yl)-
CAS No: 89544-36-5 Catalog No: AG003YLC MDL No:
Product Description
Catalog Number:
AG003YLC
Chemical Name:
Methanone, (5-chloro-2-pyridinyl)(1-methyl-1H-tetrazol-5-yl)-
CAS Number:
89544-36-5
Molecular Formula:
C8H6ClN5O
Molecular Weight:
223.6191
IUPAC Name:
(5-chloropyridin-2-yl)-(1-methyltetrazol-5-yl)methanone
InChI:
InChI=1S/C8H6ClN5O/c1-14-8(11-12-13-14)7(15)6-3-2-5(9)4-10-6/h2-4H,1H3
InChI Key:
FXEILGRKICUPHW-UHFFFAOYSA-N
SMILES:
Clc1ccc(nc1)C(=O)c1nnnn1C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.62g/mol
Monoisotopic Mass:
223.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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