AG000M3E

1244949-48-1 | 4-Bromothiazole-5-carboxylic acid

AG000M3E

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CAS Number	1244949-48-1
Catalog Number	AG000M3E(AGN-PC-0WBREA)
Chemical Name	4-Bromothiazole-5-carboxylic acid
IUPAC Name	4-bromo-1,3-thiazole-5-carboxylic acid
InChI	InChI=1S/C4H2BrNO2S/c5-3-2(4(7)8)9-1-6-3/h1H,(H,7,8)
InChI Key	GQCIIZJOGXFYNG-UHFFFAOYSA-N
MDL Number	MFCD11111596
Molecular Formula	C4H2BrNO2S
Molecular Weight	208.0332
SMILES	OC(C1=C(Br)N=CS1)=O
Synonyms	4-bromothiazole-5-carboxylic acid, 1244949-48-1, 4-bromo-1,3-thiazole-5-carboxylic acid, SCHEMBL4594949, DTXSID30670356, 5-Thiazolecarboxylic acid, 4-bromo-, MFCD11111596, ZINC38540802, AKOS016015984, NE60893, AJ-96517, AK136931, AS-43034, EN001210, Z2216720461,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.899g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.029g/mol
Monoisotopic Mass	206.899g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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