767333-84-6
4-(2-(2-(2-NAPHTHYLOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-(2-(2-NAPHTHYLOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-(2-(2-NAPHTHYLOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD06199616
【English Synonyms】
【Formula】
C27 H21 Br N2 O4
【MolWeight】
517.377
【Inchi】
InChI=1S/C27H21BrN2O4/c1-18(33-23-15-12-20-6-2-3-7-21(20)16-23)26(31)30-29-17-19-10-13-22(14-11-19)34-27(32)24-8-4-5-9-25(24)28/h2-18H,1H3,(H,30,31)/b29-17+
【InChIKey】
InChIKey=CCAZTLNCVJLMQX-STBIYBPSSA-N
【SMILES】
CC(C(=O)N/N=C/c1ccc(cc1)OC(=O)c2ccccc2Br)Oc3ccc4ccccc4c3
【MOL File】
4-(2-(2-(2-NAPHTHYLO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(2-(2-NAPHTHYLOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml