Ethyl 2-Bromo-4,5,6,7-tetrahydro-6-benzothiazolecarboxylate - CAS 1547445-11-3

Name: Ethyl 2-Bromo-4,5,6,7-tetrahydro-6-benzothiazolecarboxylate
Brand: BOC Sciences
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Catalog:	BB070848
Product Name:	Ethyl 2-Bromo-4,5,6,7-tetrahydro-6-benzothiazolecarboxylate
CAS:	1547445-11-3
Synonyms:	2-Bromo-4,5,6,7-tetrahydro-benzothiazole-6-carboxylic acid ethyl ester; ETHYL 2-BROMO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOLE-6-CARBOXYLATE; Ethyl2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate; Ethyl 2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate; 2-Bromo-4,5,6,7-tetrahydrobenzothiazole-6-carboxylic acid ethyl ester

Technical Data

IUPAC Name:	ethyl 2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
Molecular Weight:	290.18
Molecular Formula:	C10H12NO2SBr
Canonical SMILES:	CCOC(=O)C1CCC2=C(C1)SC(=N2)Br
InChI:	InChI=1S/C10H12BrNO2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h6H,2-5H2,1H3
InChI Key:	SIKMIRQRUUUIKQ-UHFFFAOYSA-N

Complexity:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	288.97721
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	288.97721
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.4Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9