AG00D800

5198-79-8 | 2-Chloro-4-formylthiazole

AG00D800

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CAS Number	5198-79-8
Catalog Number	AG00D800(AGN-PC-0SBU9C)
Chemical Name	2-Chloro-4-formylthiazole
IUPAC Name	2-chloro-1,3-thiazole-4-carbaldehyde
InChI	InChI=1S/C4H2ClNOS/c5-4-6-3(1-7)2-8-4/h1-2H
InChI Key	JGIIXKZUXXDKOO-UHFFFAOYSA-N
MDL Number	MFCD09702023
Molecular Formula	C4H2ClNOS
Molecular Weight	147.5828
SMILES	O=CC1=CSC(Cl)=N1
Synonyms	2-Chloro-4-formylthiazole, 5198-79-8, 2-chlorothiazole-4-carbaldehyde, 2-chloro-1,3-thiazole-4-carbaldehyde, 2-Chlorothiazole-4-carboxaldehyde, MFCD09702023, 4-Thiazolecarboxaldehyde,2-chloro-, SCHEMBL5213645, CTK6H3917, KS-00000IDK, 2chloro-thiazole-4-carboxaldehyde, DTXSID90650250, 2-chloro-4-Thiazolecarboxaldehyde, JGIIXKZUXXDKOO-UHFFFAOYSA-N, 2-Chloro-4-formyl-1,3-thiazole, 2-Chlorothiazole-4-carboxaldehyde|, BCP23493, ANW-64211, ZINC15444549, AKOS006343739, CC-2008, PS-6055, QC-3740, RP01548, AJ-67533, AK-40953, BR-40953, CJ-15154, AB0025255, DB-071466, TR-038913, 4CH-009214, CS-0006059, FT-0685404, ST24027902, W6684, C-2017, I09-2009, J-509174, C4H2ClNOS, A7648, 2-chlorothiazole-4-carbaldehyde, 95% - 1G 1g,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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