59210-70-7
4-CHLORO-3-([(TETRAHYDROFURAN-2-YLMETHYL)AMINO]SULFONYL)BENZOIC ACID
Name4-CHLORO-3-([(TETRAHYDROFURAN-2-YLMETHYL)AMINO]SULFONYL)BENZOIC ACID
1Identification
【Name】
4-CHLORO-3-([(TETRAHYDROFURAN-2-YLMETHYL)AMINO]SULFONYL)BENZOIC ACID
【CAS】
【MDL】
MFCD05265139
【English Synonyms】
【Formula】
C12 H14 Cl N O5 S
【MolWeight】
319.764
【Inchi】
InChI=1S/C12H14ClNO5S/c13-10-4-3-8(12(15)16)6-11(10)20(17,18)14-7-9-2-1-5-19-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,16)
【InChIKey】
InChIKey=IUKNUIPYYGWRKE-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1C(=O)O)S(=O)(=O)NCC2CCCO2)Cl
【MOL File】
4-CHLORO-3-([(TETRAH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CHLORO-3-([(TETRAHYDROFURAN-2-YLMETHYL)AMINO]SULFONYL)BENZOIC ACID.cml