532408-56-3
2-[[[(3,5-DICHLORO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Name2-[[[(3,5-DICHLORO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
FormulaC16 H10 Cl2 I2 N2 O4 S
1Identification
【Name】
2-[[[(3,5-DICHLORO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03567841
【English Synonyms】
【Formula】
C16 H10 Cl2 I2 N2 O4 S
【MolWeight】
651.037
【Inchi】
InChI=1S/C16H10Cl2I2N2O4S/c1-26-13-9(2-6(17)3-10(13)18)14(23)22-16(27)21-12-8(15(24)25)4-7(19)5-11(12)20/h2-5H,1H3,(H,24,25)(H2,21,22,23,27)
【InChIKey】
InChIKey=RTPPMUKRBHUXFV-UHFFFAOYSA-N
【SMILES】
COc1c(cc(cc1Cl)Cl)C(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O
【MOL File】
2-[[[(3,5-DICHLORO-2….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
2-[[[(3,5-DICHLORO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID.cml