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95453-58-0 | 2-Chloro-1,3-thiazole-5-carboxaldehyde
CAS No: 95453-58-0 Catalog No: AG00339S MDL No:MFCD01568717
Product Description
Catalog Number:
AG00339S
Chemical Name:
2-Chloro-1,3-thiazole-5-carboxaldehyde
CAS Number:
95453-58-0
Molecular Formula:
C4H2ClNOS
Molecular Weight:
147.5828
MDL Number:
MFCD01568717
IUPAC Name:
2-chloro-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C4H2ClNOS/c5-4-6-1-3(2-7)8-4/h1-2H
InChI Key:
PKCBQQXHFIDIIG-UHFFFAOYSA-N
SMILES:
Clc1ncc(s1)C=O
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.955g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.576g/mol
Monoisotopic Mass:
146.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Neonicotinoid insecticides: oxidative stress in planta and metallo-oxidase inhibition. | Journal of agricultural and food chemistry 20110511 |
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