Name: Name:2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
Brand: Angene
SKU: AG01AFIA
Rating: 90 (10 reviews)

2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

CAS No.:

666260-38-4

Catalog Number:

AG01AFIA

Molecular Formula:

C12H8F3N3O2

Molecular Weight:

283.2060

Catalog Number:

AG01AFIA

Chemical Name:

2-(phenylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

CAS Number:

666260-38-4

Molecular Formula:

C12H8F3N3O2

Molecular Weight:

283.2060

MDL Number:

MFCD16657327

IUPAC Name:

2-anilino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

InChI:

InChI=1S/C12H8F3N3O2/c13-12(14,15)9-8(10(19)20)6-16-11(18-9)17-7-4-2-1-3-5-7/h1-6H,(H,19,20)(H,16,17,18)

InChI Key:

FMSXPVBLDQSTMV-UHFFFAOYSA-N

SMILES:

OC(=O)c1cnc(nc1C(F)(F)F)Nc1ccccc1

Complexity:

345

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

283.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

283.21g/mol

Monoisotopic Mass:

283.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5