769146-27-2
4-BROMO-2-(2-(HYDROXY(PHENYL)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
Name4-BROMO-2-(2-(HYDROXY(PHENYL)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(HYDROXY(PHENYL)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05721113
【English Synonyms】
【Formula】
C23 H19 Br N2 O4
【MolWeight】
467.317
【Inchi】
InChI=1S/C23H19BrN2O4/c1-15-6-5-9-17(12-15)23(29)30-20-11-10-19(24)13-18(20)14-25-26-22(28)21(27)16-7-3-2-4-8-16/h2-14,21,27H,1H3,(H,26,28)/b25-14+
【InChIKey】
InChIKey=WSGFESCPPRJZNO-AFUMVMLFSA-N
【SMILES】
Cc1cccc(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)C(c3ccccc3)O)Br
【MOL File】
4-BROMO-2-(2-(HYDROX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(HYDROXY(PHENYL)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE.cml