769151-03-3
4-BROMO-2-(2-(PHENYLSULFONYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BROMO-2-(2-(PHENYLSULFONYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC20 H14 Br Cl N2 O4 S
1Identification
【Name】
4-BROMO-2-(2-(PHENYLSULFONYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD02896430
【English Synonyms】
【Formula】
C20 H14 Br Cl N2 O4 S
【MolWeight】
493.764
【Inchi】
InChI=1S/C20H14BrClN2O4S/c21-15-10-11-19(28-20(25)17-8-4-5-9-18(17)22)14(12-15)13-23-24-29(26,27)16-6-2-1-3-7-16/h1-13,24H/b23-13+
【InChIKey】
InChIKey=MZPVTAWWCFLNPM-YDZHTSKRSA-N
【SMILES】
c1ccc(cc1)S(=O)(=O)N/N=C/c2cc(ccc2OC(=O)c3ccccc3Cl)Br
【MOL File】
4-BROMO-2-(2-(PHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(PHENYLSULFONYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml