Name: Name:Efavirenz Related Compound C (20 mg) (6-chloro-2-cyclopropyl-4-(trifluoromethyl)quinoline)
Brand: Angene
SKU: AG00C79N
Rating: 90 (10 reviews)

Efavirenz Related Compound C (20 mg) (6-chloro-2-cyclopropyl-4-(trifluoromethyl)quinoline)

CAS No.:

391860-73-4

Catalog Number:

AG00C79N

Molecular Formula:

C13H9ClF3N

Molecular Weight:

271.6655

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Product Description

Catalog Number:

AG00C79N

Chemical Name:

Efavirenz Related Compound C (20 mg) (6-chloro-2-cyclopropyl-4-(trifluoromethyl)quinoline)

CAS Number:

391860-73-4

Molecular Formula:

C13H9ClF3N

Molecular Weight:

271.6655

MDL Number:

MFCD26142873

IUPAC Name:

6-chloro-2-cyclopropyl-4-(trifluoromethyl)quinoline

InChI:

InChI=1S/C13H9ClF3N/c14-8-3-4-11-9(5-8)10(13(15,16)17)6-12(18-11)7-1-2-7/h3-7H,1-2H2

InChI Key:

CXGFIHCGWHSIQO-UHFFFAOYSA-N

SMILES:

Clc1ccc2c(c1)c(cc(n2)C1CC1)C(F)(F)F

UNII:

ZC619V1CML

Properties

Complexity:

316

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

271.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

271.667g/mol

Monoisotopic Mass:

271.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

12.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3

Literature

Title	Journal
6-Chloro-2-cyclo-propyl-4-(trifluoro-meth-yl)quinoline.	Acta crystallographica. Section E, Structure reports online 20110301