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59129-52-1 | 5-Chlorothiazole-2-carbaldehyde
CAS No: 59129-52-1 Catalog No: AG00349A MDL No:MFCD08460383
Product Description
Catalog Number:
AG00349A
Chemical Name:
5-Chlorothiazole-2-carbaldehyde
CAS Number:
59129-52-1
Molecular Formula:
C4H2ClNOS
Molecular Weight:
147.5828
MDL Number:
MFCD08460383
IUPAC Name:
5-chloro-1,3-thiazole-2-carbaldehyde
InChI:
InChI=1S/C4H2ClNOS/c5-3-1-6-4(2-7)8-3/h1-2H
InChI Key:
ROLHZJVHOWFADC-UHFFFAOYSA-N
SMILES:
Clc1cnc(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
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