532937-16-9
3,5-DIBROMO-2-[[[(3,5-DICHLORO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name3,5-DIBROMO-2-[[[(3,5-DICHLORO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC16 H10 Br2 Cl2 N2 O4 S
1Identification
【Name】
3,5-DIBROMO-2-[[[(3,5-DICHLORO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03568444
【English Synonyms】
【Formula】
C16 H10 Br2 Cl2 N2 O4 S
【MolWeight】
557.045
【Inchi】
InChI=1S/C16H10Br2Cl2N2O4S/c1-26-13-9(4-7(19)5-11(13)20)14(23)22-16(27)21-12-8(15(24)25)2-6(17)3-10(12)18/h2-5H,1H3,(H,24,25)(H2,21,22,23,27)
【InChIKey】
InChIKey=ZZYUTJBAXWCYKH-UHFFFAOYSA-N
【SMILES】
COc1c(cc(cc1Cl)Cl)C(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O
【MOL File】
3,5-DIBROMO-2-[[[(3,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIBROMO-2-[[[(3,5-DICHLORO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml