Home Halogens 4-chloro-1-(prop-2-yn-1-yl)-1H-pyrazole

4-chloro-1-(prop-2-yn-1-yl)-1H-pyrazole

CAS No.:
1251029-14-7
Catalog Number:
AG01AGTQ
Molecular Formula:
C6H5ClN2
Molecular Weight:
140.5703
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Product Description
Catalog Number:
AG01AGTQ
Chemical Name:
4-chloro-1-(prop-2-yn-1-yl)-1H-pyrazole
CAS Number:
1251029-14-7
Molecular Formula:
C6H5ClN2
Molecular Weight:
140.5703
MDL Number:
MFCD14638461
IUPAC Name:
4-chloro-1-prop-2-ynylpyrazole
InChI:
InChI=1S/C6H5ClN2/c1-2-3-9-5-6(7)4-8-9/h1,4-5H,3H2
InChI Key:
ADZNTQDIKOAPEK-UHFFFAOYSA-N
SMILES:
Clc1cn(nc1)CC#C
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.014g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.57g/mol
Monoisotopic Mass:
140.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties