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Home Carbonyls 1-Phenyl-5-propyl-1h-pyrazole-4-carbonyl chloride

1-Phenyl-5-propyl-1h-pyrazole-4-carbonyl chloride

CAS No.:
175137-15-2
Catalog Number:
AG0020B6
Molecular Formula:
C13H13ClN2O
Molecular Weight:
248.7081
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$100
- +
5g
97%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG0020B6
Chemical Name:
1-Phenyl-5-propyl-1h-pyrazole-4-carbonyl chloride
CAS Number:
175137-15-2
Molecular Formula:
C13H13ClN2O
Molecular Weight:
248.7081
MDL Number:
MFCD00173865
IUPAC Name:
1-phenyl-5-propylpyrazole-4-carbonyl chloride
InChI:
InChI=1S/C13H13ClN2O/c1-2-6-12-11(13(14)17)9-15-16(12)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
InChI Key:
WGSJOUNRMCLMHQ-UHFFFAOYSA-N
SMILES:
CCCc1c(cnn1c1ccccc1)C(=O)Cl
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.072g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.71g/mol
Monoisotopic Mass:
248.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties