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180992-31-8 | 4-Thiazolecarbonyl chloride, 2-(3-pyridinyl)-
CAS No: 180992-31-8 Catalog No: AG0022IX MDL No:
Product Description
Catalog Number:
AG0022IX
Chemical Name:
4-Thiazolecarbonyl chloride, 2-(3-pyridinyl)-
CAS Number:
180992-31-8
Molecular Formula:
C9H5ClN2OS
Molecular Weight:
224.6668
IUPAC Name:
2-pyridin-3-yl-1,3-thiazole-4-carbonyl chloride
InChI:
InChI=1S/C9H5ClN2OS/c10-8(13)7-5-14-9(12-7)6-2-1-3-11-4-6/h1-5H
InChI Key:
JTYSZJURMOQRTP-UHFFFAOYSA-N
SMILES:
ClC(=O)c1csc(n1)c1cccnc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.981g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.662g/mol
Monoisotopic Mass:
223.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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