Name: Name:3-(chloromethyl)-8-fluoro-2H-1lambda6,2,4-benzothiadiazine-1,1-dione
Brand: Angene
SKU: AG01ELZB
Rating: 90 (10 reviews)

3-(chloromethyl)-8-fluoro-2H-1lambda6,2,4-benzothiadiazine-1,1-dione

CAS No.:

2138077-80-0

Catalog Number:

AG01ELZB

Molecular Formula:

C8H6ClFN2O2S

Molecular Weight:

248.6618

Catalog Number:

AG01ELZB

Chemical Name:

3-(chloromethyl)-8-fluoro-2H-1lambda6,2,4-benzothiadiazine-1,1-dione

CAS Number:

2138077-80-0

Molecular Formula:

C8H6ClFN2O2S

Molecular Weight:

248.6618

MDL Number:

MFCD31604265

IUPAC Name:

3-(chloromethyl)-8-fluoro-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

InChI:

InChI=1S/C8H6ClFN2O2S/c9-4-7-11-6-3-1-2-5(10)8(6)15(13,14)12-7/h1-3H,4H2,(H,11,12)

InChI Key:

YUQSYGXEDMUETQ-UHFFFAOYSA-N

SMILES:

ClCC1=Nc2cccc(c2S(=O)(=O)N1)F

Complexity:

379

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.982g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.656g/mol

Monoisotopic Mass:

247.982g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7