530146-60-2
BENZOIC ACID, 3-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-
NameBENZOIC ACID, 3-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-
FormulaC19 H16 Br2 N2 O4 S
1Identification
【Name】
BENZOIC ACID, 3-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-
【CAS】
【MDL】
MFCD03564701
【English Synonyms】
【Formula】
C19 H16 Br2 N2 O4 S
【MolWeight】
528.219
【Inchi】
InChI=1S/C19H16Br2N2O4S/c1-10-13(18(25)26)4-3-5-15(10)22-19(28)23-16(24)7-6-11-8-12(20)9-14(21)17(11)27-2/h3-9H,1-2H3,(H,25,26)(H2,22,23,24,28)/b7-6+
【InChIKey】
InChIKey=FJEOZAUAACAGFB-VOTSOKGWSA-N
【SMILES】
Cc1c(cccc1NC(=S)NC(=O)/C=C/c2cc(cc(c2OC)Br)Br)C(=O)O
【MOL File】
BENZOIC ACID, 3-[[[[….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZOIC ACID, 3-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-.cml