141109-21-9
(+)-BENZENEACETIC ACID, 2-CHLORO-A-[[2-(2-THIENYL)ETHYL]AMINO]-, METHYL ESTER, (1S)-7,7-DIMETHYL-2-OXOBICYCLO[2.2.1]HEPTANE-1-METHANESULFONATE
Name(+)-BENZENEACETIC ACID, 2-CHLORO-A-[[2-(2-THIENYL)ETHYL]AMINO]-, METHYL ESTER, (1S)-7,7-DIMETHYL-2-OXOBICYCLO[2.2.1]HEPTANE-1-METHANESULFONATE
FormulaC15 H16 Cl N O2 S . C10 H16 O4 S
1Identification
【Name】
(+)-BENZENEACETIC ACID, 2-CHLORO-A-[[2-(2-THIENYL)ETHYL]AMINO]-, METHYL ESTER, (1S)-7,7-DIMETHYL-2-OXOBICYCLO[2.2.1]HEPTANE-1-METHANESULFONATE
【CAS】
【MDL】
MFCD09839376
【English Synonyms】
【Formula】
C15 H16 Cl N O2 S . C10 H16 O4 S
【MolWeight】
542.114
【Inchi】
InChI=1S/C15H16ClNO2S.C10H16O4S/c1-19-15(18)14(12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-7,10,14,17H,8-9H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/t;7-,10-/m.1/s1
【InChIKey】
InChIKey=JOIKQWIAYDLRQN-STOWLHSFSA-N
【SMILES】
CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C.COC(=O)C(c1ccccc1Cl)NCCc2cccs2
【MOL File】
(+)-BENZENEACETIC AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(+)-BENZENEACETIC ACID, 2-CHLORO-A-[[2-(2-THIENYL)ETHYL]AMINO]-, METHYL ESTER, (1S)-7,7-DIMETHYL-2-OXOBICYCLO[2.2.1]HEPTANE-1-METHANESULFONATE.cml