Methyl 2-Chlorobenzothiazole-6-carboxylate - CAS 90792-69-1

Catalog:	BB039948
Product Name:	Methyl 2-Chlorobenzothiazole-6-carboxylate
CAS:	90792-69-1
Synonyms:	2-chloro-1,3-benzothiazole-6-carboxylic acid methyl ester; methyl 2-chloro-1,3-benzothiazole-6-carboxylate

Technical Data

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Patents

Computed Properties

IUPAC Name:	methyl 2-chloro-1,3-benzothiazole-6-carboxylate
Description:	Methyl 2-Chlorobenzothiazole-6-carboxylate (CAS# 90792-69-1) is a useful research chemical.
Molecular Weight:	227.67
Molecular Formula:	C9H6ClNO2S
Canonical SMILES:	COC(=O)C1=CC2=C(C=C1)N=C(S2)Cl
InChI:	InChI=1S/C9H6ClNO2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3
InChI Key:	HSTWZXJDEICJAL-UHFFFAOYSA-N
Boiling Point:	327.7 °C at 760 mmHg
Density:	1.459 g/cm³
LogP:	2.73630

Publication Number	Title	Priority Date
US-2020231584-A1	PCSK9 Inhibitors and Methods of Use Thereof	20190118
US-2020291041-A1	PCSK9 Inhibitors and Methods of Use Thereof	20190118
WO-2020150473-A2	Pcsk9 inhibitors and methods of use thereof	20190118
WO-2020150474-A1	Pcsk9 inhibitors and methods of use thereof	20190118
TW-202042817-A	Pcsk9 inhibitors and methods of use thereof	20190118

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.9807773
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	226.9807773
Rotatable Bond Count:	2
Topological Polar Surface Area:	67.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2