109938-92-3
BENZOIC ACID, O-CHLORO-, ALPHA-(1-PYRROLIDINYLMETHYL)BENZYL ESTER, HYD ROCHLORIDE
NameBENZOIC ACID, O-CHLORO-, ALPHA-(1-PYRROLIDINYLMETHYL)BENZYL ESTER, HYD ROCHLORIDE
FormulaC19 H20 Cl N O2 . Cl H
1Identification
【Name】
BENZOIC ACID, O-CHLORO-, ALPHA-(1-PYRROLIDINYLMETHYL)BENZYL ESTER, HYD ROCHLORIDE
【CAS】
【MDL】
MFCD01687939
【English Synonyms】
【Formula】
C19 H20 Cl N O2 . Cl H
【MolWeight】
366.286
【Inchi】
InChI=1S/C19H20ClNO2.ClH/c20-17-11-5-4-10-16(17)19(22)23-18(14-21-12-6-7-13-21)15-8-2-1-3-9-15;/h1-5,8-11,18H,6-7,12-14H2;1H
【InChIKey】
InChIKey=WGRYIPBOAXTVCN-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(CN2CCCC2)OC(=O)c3ccccc3Cl.Cl
【MOL File】
BENZOIC ACID, O-CHLO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZOIC ACID, O-CHLORO-, ALPHA-(1-PYRROLIDINYLMETHYL)BENZYL ESTER, HYD ROCHLORIDE.cml