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36094-04-9 | 4-Thiazolecarbonylchloride, 2-phenyl-
CAS No: 36094-04-9 Catalog No: AG007BE9 MDL No:MFCD02681968
Product Description
Catalog Number:
AG007BE9
Chemical Name:
4-Thiazolecarbonylchloride, 2-phenyl-
CAS Number:
36094-04-9
Molecular Formula:
C10H6ClNOS
Molecular Weight:
223.6787
MDL Number:
MFCD02681968
IUPAC Name:
2-phenyl-1,3-thiazole-4-carbonyl chloride
InChI:
InChI=1S/C10H6ClNOS/c11-9(13)8-6-14-10(12-8)7-4-2-1-3-5-7/h1-6H
InChI Key:
ZZFOIDMEHXGBKS-UHFFFAOYSA-N
SMILES:
ClC(=O)c1csc(n1)c1ccccc1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.674g/mol
Monoisotopic Mass:
222.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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