585544-20-3
6-CHLORO-N-NEOPENTYLNICOTINIC ACID
Name
6-CHLORO-N-NEOPENTYLNICOTINIC ACID
pro_formula
C11 H16 Cl N O2
pro_molWeight
229.705
1Identification
【Name】
6-CHLORO-N-NEOPENTYLNICOTINIC ACID
【CAS】
【MDL】
MFCD08461006
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H16 Cl N O2
【pro_molWeight】
229.705
【Inchi】
InChI=1S/C11H16ClNO2/c1-11(2,3)7-13-6-8(10(14)15)4-5-9(13)12/h4-5H,6-7H2,1-3H3,(H,14,15)
【InChIKey】
InChIKey=XYBYHLQGRGMWCF-UHFFFAOYSA-N
【SMILES】
CC(C)(C)CN1CC(=CC=C1Cl)C(=O)O
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:3
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
6-CHLORO-N-NEOPENTYLNICOTINIC ACID.cml
quick_release
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