CAS 2355-16-0 | 1,2-Benzenediamine, 4-[(trifluoromethyl)sulfonyl]- | CAS Number 2355-16-0

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2355-16-0 | 1,2-Benzenediamine, 4-[(trifluoromethyl)sulfonyl]-

CAS No: 2355-16-0 Catalog No: AG002NNU MDL No:MFCD00491700

Product Description

Catalog Number:

AG002NNU

Chemical Name:

1,2-Benzenediamine, 4-[(trifluoromethyl)sulfonyl]-

CAS Number:

2355-16-0

Molecular Formula:

C7H7F3N2O2S

Molecular Weight:

240.2029

MDL Number:

MFCD00491700

IUPAC Name:

4-(trifluoromethylsulfonyl)benzene-1,2-diamine

InChI:

InChI=1S/C7H7F3N2O2S/c8-7(9,10)15(13,14)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2

InChI Key:

XHTLLPJFZIYMHD-UHFFFAOYSA-N

SMILES:

Nc1ccc(cc1N)S(=O)(=O)C(F)(F)F

Properties

Complexity:

322

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.018g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.2g/mol

Monoisotopic Mass:

240.018g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501