913626-01-4
3-IODO-5-[(METHYLSULFONYL)PROPYLAMINO]-BENZOIC ACID, METHYL ESTER
Name3-IODO-5-[(METHYLSULFONYL)PROPYLAMINO]-BENZOIC ACID, METHYL ESTER
1Identification
【Name】
3-IODO-5-[(METHYLSULFONYL)PROPYLAMINO]-BENZOIC ACID, METHYL ESTER
【CAS】
【MDL】
MFCD13191830
【English Synonyms】
【Formula】
C12 H16 I N O4 S
【MolWeight】
397.227
【Inchi】
InChI=1S/C12H16INO4S/c1-4-5-14(19(3,16)17)11-7-9(12(15)18-2)6-10(13)8-11/h6-8H,4-5H2,1-3H3
【InChIKey】
InChIKey=HSODTHJPHPIOKW-UHFFFAOYSA-N
【SMILES】
CCCN(c1cc(cc(c1)I)C(=O)OC)S(=O)(=O)C
【MOL File】
3-IODO-5-[(METHYLSUL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-IODO-5-[(METHYLSULFONYL)PROPYLAMINO]-BENZOIC ACID, METHYL ESTER.cml