AG004Z5Z

82554-18-5 | 2,4-Dichloro-5-cyanothiazole

AG004Z5Z

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CAS Number	82554-18-5
Catalog Number	AG004Z5Z(AGN-PC-00PQIA)
Chemical Name	2,4-Dichloro-5-cyanothiazole
IUPAC Name	2,4-dichloro-1,3-thiazole-5-carbonitrile
InChI	InChI=1S/C4Cl2N2S/c5-3-2(1-7)9-4(6)8-3
InChI Key	HXWDCGDBOAECIP-UHFFFAOYSA-N
MDL Number	MFCD08669569
Molecular Formula	C4Cl2N2S
Molecular Weight	179.0272
SMILES	ClC1=NC(=C(S1)C#N)Cl
Synonyms	2,4-DICHLORO-5-CYANOTHIAZOLE, 82554-18-5, 2,4-dichlorothiazole-5-carbonitrile, dichloro-1,3-thiazole-5-carbonitrile, SCHEMBL3148442, CTK5E9799, KS-00000ODL, DTXSID60574676, HXWDCGDBOAECIP-UHFFFAOYSA-N, ZINC8700547, 2,4-dichloro-5-thiazolecarbonitrile, ANW-49890, MFCD08669569, 5-Thiazolecarbonitrile,2,4-dichloro-, AKOS006289276, 5-Thiazolecarbonitrile, 2,4-dichloro-, AB45919, CS-W005208, QC-6462, RP24013, AJ-58406, AK-23566, BR-23566, CJ-13502, DA-19249, DS-10483, 2,4-Dichloro-1,3-thiazole-5-carbonitrile, AB0026875, TC-138635, 4CH-010086, FT-0687669, ST24027305, W8627, C-1920, I09-1607, J-507129, C4Cl2N2S, A10044,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.916g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	179.018g/mol
Monoisotopic Mass	177.916g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	64.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number