Home Halogens 4-(3-chloroprop-1-yn-1-yl)-1-phenyl-1H-pyrazole

4-(3-chloroprop-1-yn-1-yl)-1-phenyl-1H-pyrazole

CAS No.:
1178712-99-6
Catalog Number:
AG01DV1C
Molecular Formula:
C12H9ClN2
Molecular Weight:
216.6663
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DV1C
Chemical Name:
4-(3-chloroprop-1-yn-1-yl)-1-phenyl-1H-pyrazole
CAS Number:
1178712-99-6
Molecular Formula:
C12H9ClN2
Molecular Weight:
216.6663
MDL Number:
MFCD12155867
IUPAC Name:
4-(3-chloroprop-1-ynyl)-1-phenylpyrazole
InChI:
InChI=1S/C12H9ClN2/c13-8-4-5-11-9-14-15(10-11)12-6-2-1-3-7-12/h1-3,6-7,9-10H,8H2
InChI Key:
NJXXCKTYOFJEGW-UHFFFAOYSA-N
SMILES:
ClCC#Cc1cnn(c1)c1ccccc1
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.045g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.668g/mol
Monoisotopic Mass:
216.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties