Name: Name:11-chloro-4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,11-tetraene
Brand: Angene
SKU: AG01AQY6
Rating: 90 (10 reviews)

11-chloro-4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,11-tetraene

CAS No.:

155559-77-6

Catalog Number:

AG01AQY6

Molecular Formula:

C8H4ClNO2S

Molecular Weight:

213.6409

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Product Description

Catalog Number:

AG01AQY6

Chemical Name:

11-chloro-4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,11-tetraene

CAS Number:

155559-77-6

Molecular Formula:

C8H4ClNO2S

Molecular Weight:

213.6409

MDL Number:

MFCD04448823

IUPAC Name:

6-chloro-[1,3]dioxolo[4,5-f][1,3]benzothiazole

InChI:

InChI=1S/C8H4ClNO2S/c9-8-10-4-1-5-6(12-3-11-5)2-7(4)13-8/h1-2H,3H2

InChI Key:

WZRZVJFFQLMHCP-UHFFFAOYSA-N

SMILES:

Clc1sc2c(n1)cc1c(c2)OCO1

Properties

Complexity:

218

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.965g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.635g/mol

Monoisotopic Mass:

212.965g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101