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5264-17-5 | 4-(4-Chlorobutyl)pyridine
CAS No: 5264-17-5 Catalog No: AG003K2X MDL No:MFCD07782138
Product Description
Catalog Number:
AG003K2X
Chemical Name:
4-(4-Chlorobutyl)pyridine
CAS Number:
5264-17-5
Molecular Formula:
C9H12ClN
Molecular Weight:
169.6513
MDL Number:
MFCD07782138
IUPAC Name:
4-(4-chlorobutyl)pyridine
InChI:
InChI=1S/C9H12ClN/c10-6-2-1-3-9-4-7-11-8-5-9/h4-5,7-8H,1-3,6H2
InChI Key:
OMVNWHFRVCCONY-UHFFFAOYSA-N
SMILES:
ClCCCCc1ccncc1
Properties
Complexity:
89.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.066g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.652g/mol
Monoisotopic Mass:
169.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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