400084-67-5
2-PROPYNYL N-(1-((2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)CARBAMATE
Name2-PROPYNYL N-(1-((2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)CARBAMATE
1Identification
【Name】
2-PROPYNYL N-(1-((2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)CARBAMATE
【CAS】
【MDL】
MFCD01316923
【English Synonyms】
【Formula】
C17 H12 F2 N2 O5
【MolWeight】
362.287
【Inchi】
InChI=1S/C17H12F2N2O5/c1-2-8-24-16(23)20-12-4-3-7-21(15(12)22)10-11-5-6-13-14(9-11)26-17(18,19)25-13/h1,3-7,9H,8,10H2,(H,20,23)
【InChIKey】
InChIKey=JMOGNWWVXYJDPN-UHFFFAOYSA-N
【SMILES】
C#CCOC(=O)Nc1cccn(c1=O)Cc2ccc3c(c2)OC(O3)(F)F
【MOL File】
2-PROPYNYL N-(1-((2,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-PROPYNYL N-(1-((2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)CARBAMATE.cml