Name: Name:3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-ol
Brand: Angene
SKU: AG00I51W
Rating: 90 (10 reviews)

3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-ol

CAS No.:

26723-60-4

Catalog Number:

AG00I51W

Molecular Formula:

C14H12ClNO3S

Molecular Weight:

309.7680

Catalog Number:

AG00I51W

Chemical Name:

3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-ol

CAS Number:

26723-60-4

Molecular Formula:

C14H12ClNO3S

Molecular Weight:

309.7680

MDL Number:

MFCD07368144

IUPAC Name:

3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-ol

InChI:

InChI=1S/C14H12ClNO3S/c1-16-12-5-3-2-4-10(12)14(17)11-7-6-9(15)8-13(11)20(16,18)19/h2-8,14,17H,1H3

InChI Key:

KBRSJPHSCOAFDR-UHFFFAOYSA-N

SMILES:

Clc1ccc2c(c1)S(=O)(=O)N(C)c1c(C2O)cccc1

EC Number:

247-944-1

Complexity:

464

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

309.023g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

309.764g/mol

Monoisotopic Mass:

309.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1