AG0037V5

440100-94-7 | 2-bromothiazole-5-carbonitrile

AG0037V5

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CAS Number	440100-94-7
Catalog Number	AG0037V5(AGN-PC-01MM07)
Chemical Name	2-bromothiazole-5-carbonitrile
IUPAC Name	2-bromo-1,3-thiazole-5-carbonitrile
InChI	InChI=1S/C4HBrN2S/c5-4-7-2-3(1-6)8-4/h2H
InChI Key	RCVDPJMWWCIVJV-UHFFFAOYSA-N
MDL Number	MFCD09909651
Molecular Formula	C4HBrN2S
Molecular Weight	189.0331
SMILES	BrC=1SC(=CN1)C#N
Synonyms	2-Bromo-5-cyanothiazole, 440100-94-7, 2-BROMOTHIAZOLE-5-CARBONITRILE, 2-bromo-1,3-thiazole-5-carbonitrile, 5-Thiazolecarbonitrile, 2-bromo-, 5-Thiazolecarbonitrile,2-bromo-, AK-24122, ACMC-1AJYD, 2-bromo-5-cyano-thiazole, SCHEMBL1237780, CTK4I7923, KS-00000HEM, DTXSID90591351, RCVDPJMWWCIVJV-UHFFFAOYSA-N, 2-?bromothiazole-?5-?carbonitrile, ANW-30048, FCH876552, MFCD09909651, ZINC40448302, 2-BROMO-5-THIAZOLECARBONITRILE, AKOS006312129, CS-W005651, FS-2734, MB08177, QC-6459, RP24865, RTR-017022, ACM440100947, AM803914, BR-24122, CJ-20111, SC-71314, AB0024944, AJ-102617, AX8158323, DB-070504, TR-017022, 4CH-004205, FT-0646231, ST24027880, W6310, S-4266, J-508357, I14-24983, C4HBrN2S,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.904g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.03g/mol
Monoisotopic Mass	187.904g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	64.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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