Name: Name:3-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}benzoic acid
Brand: Angene
SKU: AG01BVS1
Rating: 90 (10 reviews)

3-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}benzoic acid

CAS No.:

1217079-88-3

Catalog Number:

AG01BVS1

Molecular Formula:

C12H8F3N3O2

Molecular Weight:

283.2060

Catalog Number:

AG01BVS1

Chemical Name:

3-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}benzoic acid

CAS Number:

1217079-88-3

Molecular Formula:

C12H8F3N3O2

Molecular Weight:

283.2060

MDL Number:

MFCD11505015

IUPAC Name:

3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid

InChI:

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

InChI Key:

BBTHODYMXCEZNZ-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1)Nc1nccc(n1)C(F)(F)F

Complexity:

351

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