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55842-53-0 | 4-Thiazolecarbonyl chloride, 2-methyl- (9CI)
CAS No: 55842-53-0 Catalog No: AG00D8Y7 MDL No:MFCD09991914
Product Description
Catalog Number:
AG00D8Y7
Chemical Name:
4-Thiazolecarbonyl chloride, 2-methyl- (9CI)
CAS Number:
55842-53-0
Molecular Formula:
C5H4ClNOS
Molecular Weight:
161.6094
MDL Number:
MFCD09991914
IUPAC Name:
2-methyl-1,3-thiazole-4-carbonyl chloride
InChI:
InChI=1S/C5H4ClNOS/c1-3-7-4(2-9-3)5(6)8/h2H,1H3
InChI Key:
KHORPZFSYQUYDV-UHFFFAOYSA-N
SMILES:
Cc1nc(cs1)C(=O)Cl
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.97g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.603g/mol
Monoisotopic Mass:
160.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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