769155-96-6
4-(2-(3-METHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-(3-METHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-(3-METHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD05154362
【English Synonyms】
【Formula】
C22 H17 Br N2 O4
【MolWeight】
453.29
【Inchi】
InChI=1S/C22H17BrN2O4/c1-28-18-6-4-5-16(13-18)21(26)25-24-14-15-9-11-17(12-10-15)29-22(27)19-7-2-3-8-20(19)23/h2-14H,1H3,(H,25,26)/b24-14+
【InChIKey】
InChIKey=QFAKOTNEZKORMP-ZVHZXABRSA-N
【SMILES】
COc1cccc(c1)C(=O)N/N=C/c2ccc(cc2)OC(=O)c3ccccc3Br
【MOL File】
4-(2-(3-METHOXYBENZO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(3-METHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml