666260-62-4
2-(2,6-DICHLOROANILINO)-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID
Name2-(2,6-DICHLOROANILINO)-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID
FormulaC12 H6 Cl2 F3 N3 O2
1Identification
【Name】
2-(2,6-DICHLOROANILINO)-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD16657325
【English Synonyms】
【Formula】
C12 H6 Cl2 F3 N3 O2
【MolWeight】
352.098
【Inchi】
InChI=1S/C12H6Cl2F3N3O2/c13-6-2-1-3-7(14)8(6)19-11-18-4-5(10(21)22)9(20-11)12(15,16)17/h1-4H,(H,21,22)(H,18,19,20)
【InChIKey】
InChIKey=AGHKJHVEUMCYKH-UHFFFAOYSA-N
【SMILES】
c1cc(c(c(c1)Cl)Nc2ncc(c(n2)C(F)(F)F)C(=O)O)Cl
【MOL File】
2-(2,6-DICHLOROANILI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2,6-DICHLOROANILINO)-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID.cml