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2-chloro-1,3-thiazole-4-carbaldehyde

2-chloro-1,3-thiazole-4-carbaldehyde

CAS: 5198-79-8

Formula: C4H2ClNOS

SMILES: ClC1=NC(C=O)=CS1

IUPAC: 2-chloro-1,3-thiazole-4-carbaldehyde

InChI: InChI=1S/C4H2ClNOS/c5-4-6-3(1-7)2-8-4/h1-2H

Composition: C (32.56%), H (1.37%), Cl (24.02%), N (9.49%), O (10.84%), S (21.72%)

Molar Mass: 147.58

Atom Count: 10

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 146.9545626
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey JGIIXKZUXXDKOO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 32.49
Topological Polar Surface Area 29.96
Polarizability 12.17
Ring Count 1
Rotatable Bond Count 1

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