AG00II7E

944804-79-9 | 2-Amino-5-bromothiazole-4-carbonitrile

AG00II7E

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CAS Number	944804-79-9
Catalog Number	AG00II7E(AGN-PC-0WD26A)
Chemical Name	2-Amino-5-bromothiazole-4-carbonitrile
IUPAC Name	2-amino-5-bromo-1,3-thiazole-4-carbonitrile
InChI	InChI=1S/C4H2BrN3S/c5-3-2(1-6)8-4(7)9-3/h(H2,7,8)
InChI Key	AWRSBLKVIBXYGO-UHFFFAOYSA-N
MDL Number	MFCD11109851
Molecular Formula	C4H2BrN3S
Molecular Weight	204.0478
SMILES	N#CC1=C(Br)SC(N)=N1
Synonyms	2-AMINO-5-BROMOTHIAZOLE-4-CARBONITRILE, 944804-79-9, 2-amino-5-bromo-1,3-thiazole-4-carbonitrile, 4-Thiazolecarbonitrile, 2-amino-5-bromo-, SCHEMBL4292009, DTXSID20727363, AWRSBLKVIBXYGO-UHFFFAOYSA-N, CS-B1168, MFCD11109851, ZINC95643005, AKOS022175182, FCH1402571, AK-25198, AS-41534, AJ-133445, AX8254210, DB-079905, 4CH-004325, FT-0755427, ST24039938, X-2320, ACN-031439,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.915g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.045g/mol
Monoisotopic Mass	202.915g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	90.9A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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