Home Halogens 2-(4-chlorobut-1-yn-1-yl)pyridine

2-(4-chlorobut-1-yn-1-yl)pyridine

CAS No.:
1339733-13-9
Catalog Number:
AG01BXME
Molecular Formula:
C9H8ClN
Molecular Weight:
165.6195
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Product Description
Catalog Number:
AG01BXME
Chemical Name:
2-(4-chlorobut-1-yn-1-yl)pyridine
CAS Number:
1339733-13-9
Molecular Formula:
C9H8ClN
Molecular Weight:
165.6195
MDL Number:
MFCD18855383
IUPAC Name:
2-(4-chlorobut-1-ynyl)pyridine
InChI:
InChI=1S/C9H8ClN/c10-7-3-1-5-9-6-2-4-8-11-9/h2,4,6,8H,3,7H2
InChI Key:
GFQINEAATARLBR-UHFFFAOYSA-N
SMILES:
ClCCC#Cc1ccccn1
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.62g/mol
Monoisotopic Mass:
165.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties