Name: Name:Benzoic acid, 5-chloro-2-[[(trifluoromethyl)sulfonyl]amino]-, methyl ester
Brand: Angene
SKU: AG00550R
Rating: 90 (10 reviews)

Benzoic acid, 5-chloro-2-[[(trifluoromethyl)sulfonyl]amino]-, methyl ester

CAS No.:

84466-05-7

Catalog Number:

AG00550R

Molecular Formula:

C9H7ClF3NO4S

Molecular Weight:

317.6694

Catalog Number:

AG00550R

Chemical Name:

Benzoic acid, 5-chloro-2-[[(trifluoromethyl)sulfonyl]amino]-, methyl ester

CAS Number:

84466-05-7

Molecular Formula:

C9H7ClF3NO4S

Molecular Weight:

317.6694

MDL Number:

MFCD24386405

IUPAC Name:

methyl 5-chloro-2-(trifluoromethylsulfonylamino)benzoate

InChI:

InChI=1S/C9H7ClF3NO4S/c1-18-8(15)6-4-5(10)2-3-7(6)14-19(16,17)9(11,12)13/h2-4,14H,1H3

InChI Key:

KBHDSWIXRODKSZ-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F

UNII:

N8D88V49HD

Complexity:

434

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

316.974g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

317.663g/mol

Monoisotopic Mass:

316.974g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7