94037-00-0
4-(3,4-DICHLOROANILINO)-6-METHYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID
Name4-(3,4-DICHLOROANILINO)-6-METHYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID
1Identification
【Name】
4-(3,4-DICHLOROANILINO)-6-METHYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD00233725
【English Synonyms】
【Formula】
C18 H13 Cl2 N3 O2
【MolWeight】
374.226
【Inchi】
InChI=1S/C18H13Cl2N3O2/c1-10-15(18(24)25)17(22-12-7-8-13(19)14(20)9-12)23-16(21-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,24,25)(H,21,22,23)
【InChIKey】
InChIKey=CSHVLNUGGSYOML-UHFFFAOYSA-N
【SMILES】
Cc1c(c(nc(n1)c2ccccc2)Nc3ccc(c(c3)Cl)Cl)C(=O)O
【MOL File】
4-(3,4-DICHLOROANILI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3,4-DICHLOROANILINO)-6-METHYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID.cml