Name: Name:Pyrimidine, 4-chloro-2-phenyl-6-(trifluoromethyl)-
Brand: Angene
SKU: AG00I1GM
Rating: 90 (10 reviews)

Pyrimidine, 4-chloro-2-phenyl-6-(trifluoromethyl)-

CAS No.:

184109-83-9

Catalog Number:

AG00I1GM

Molecular Formula:

C11H6ClF3N2

Molecular Weight:

258.6269

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG00I1GM

Chemical Name:

Pyrimidine, 4-chloro-2-phenyl-6-(trifluoromethyl)-

CAS Number:

184109-83-9

Molecular Formula:

C11H6ClF3N2

Molecular Weight:

258.6269

MDL Number:

MFCD00559594

IUPAC Name:

4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine

InChI:

InChI=1S/C11H6ClF3N2/c12-9-6-8(11(13,14)15)16-10(17-9)7-4-2-1-3-5-7/h1-6H

InChI Key:

CWZUWJRMFIDBRA-UHFFFAOYSA-N

SMILES:

Clc1nc(nc(c1)C(F)(F)F)c1ccccc1

Properties

Complexity:

254

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.017g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.628g/mol

Monoisotopic Mass:

258.017g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

25.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101