Name: Name:11-chloro-3-oxo-7-thia-2-azatricyclo[6.4.0.0,2,6]dodeca-1(12),8,10-triene-6-carboxylic acid
Brand: Angene
SKU: AG019XMC
Rating: 90 (10 reviews)

11-chloro-3-oxo-7-thia-2-azatricyclo[6.4.0.0,2,6]dodeca-1(12),8,10-triene-6-carboxylic acid

CAS No.:

1236270-06-6

Catalog Number:

AG019XMC

Molecular Formula:

C11H8ClNO3S

Molecular Weight:

269.7041

Catalog Number:

AG019XMC

Chemical Name:

11-chloro-3-oxo-7-thia-2-azatricyclo[6.4.0.0,2,6]dodeca-1(12),8,10-triene-6-carboxylic acid

CAS Number:

1236270-06-6

Molecular Formula:

C11H8ClNO3S

Molecular Weight:

269.7041

MDL Number:

MFCD13196222

IUPAC Name:

7-chloro-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylic acid

InChI:

InChI=1S/C11H8ClNO3S/c12-6-1-2-8-7(5-6)13-9(14)3-4-11(13,17-8)10(15)16/h1-2,5H,3-4H2,(H,15,16)

InChI Key:

BXUSSTYMXIMALU-UHFFFAOYSA-N

SMILES:

Clc1ccc2c(c1)N1C(=O)CCC1(S2)C(=O)O

Complexity:

391

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.991g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.699g/mol

Monoisotopic Mass:

268.991g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8