52238-94-5
4-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYLAZO)-3-HYDROXY-2-NAPHTHOIC ACID
Name4-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYLAZO)-3-HYDROXY-2-NAPHTHOIC ACID
FormulaC18 H10 Cl F3 N2 O3
1Identification
【Name】
4-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYLAZO)-3-HYDROXY-2-NAPHTHOIC ACID
【CAS】
【MDL】
MFCD00029338
【English Synonyms】
【Formula】
C18 H10 Cl F3 N2 O3
【MolWeight】
394.735
【Inchi】
InChI=1S/C18H10ClF3N2O3/c19-13-6-5-10(18(20,21)22)8-14(13)23-24-15-11-4-2-1-3-9(11)7-12(16(15)25)17(26)27/h1-8,25H,(H,26,27)/b24-23+
【InChIKey】
InChIKey=LFUPHTJXWMRCJO-WCWDXBQESA-N
【SMILES】
c1ccc2c(c1)cc(c(c2/N=N/c3cc(ccc3Cl)C(F)(F)F)O)C(=O)O
【MOL File】
4-(2-CHLORO-5-(TRIFL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYLAZO)-3-HYDROXY-2-NAPHTHOIC ACID.cml