423735-93-7
ML 161
Name
ML 161
Formula
C17 H17 Br N2 O2
MolWeight
361.237
1Identification
【Name】
ML 161
【CAS】
【MDL】
MFCD03063772
【English Synonyms】
【Formula】
C17 H17 Br N2 O2
【MolWeight】
361.237
【Inchi】
InChI=1S/C17H17BrN2O2/c1-2-6-16(21)19-12-7-5-8-13(11-12)20-17(22)14-9-3-4-10-15(14)18/h3-5,7-11H,2,6H2,1H3,(H,19,21)(H,20,22)
【InChIKey】
InChIKey=DFOVLSMXPWPCFH-UHFFFAOYSA-N
【SMILES】
CCCC(=O)Nc1cccc(c1)NC(=O)c2ccccc2Br
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【WGK Germany】
3
4CML File
ML 161.cml
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