CAS 320-51-4 | 4-Chloro-3-(trifluoromethyl)aniline | CAS Number 320-51-4

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320-51-4 | 4-Chloro-3-(trifluoromethyl)aniline

CAS No: 320-51-4 Catalog No: AG003L4C MDL No:MFCD00007846

Product Description

Catalog Number:

AG003L4C

Chemical Name:

4-Chloro-3-(trifluoromethyl)aniline

CAS Number:

320-51-4

Molecular Formula:

C7H5ClF3N

Molecular Weight:

195.5695

MDL Number:

MFCD00007846

IUPAC Name:

4-chloro-3-(trifluoromethyl)aniline

InChI:

InChI=1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2

InChI Key:

ASPDJZINBYYZRU-UHFFFAOYSA-N

SMILES:

Nc1ccc(c(c1)C(F)(F)F)Cl

EC Number:

206-277-6

UNII:

000N5814MR

NSC Number:

61405

Properties

Complexity:

159

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.006g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.569g/mol

Monoisotopic Mass:

195.006g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Phenyl N-[4-chloro-3-(trifluoro-meth-yl)phen-yl]carbamate.	Acta crystallographica. Section E, Structure reports online 20090301
Production of murine monoclonal antibodies against sulcofuron and flucofuron by in vitro immunisation.	Journal of immunological methods 19960927