Home Carbonyls 1-ethyl-1H-pyrazole-3-carbonyl chloride

1-ethyl-1H-pyrazole-3-carbonyl chloride

CAS No.:
1006471-16-4
Catalog Number:
AG0090JK
Molecular Formula:
C6H7ClN2O
Molecular Weight:
158.5856
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Product Description
Catalog Number:
AG0090JK
Chemical Name:
1-ethyl-1H-pyrazole-3-carbonyl chloride
CAS Number:
1006471-16-4
Molecular Formula:
C6H7ClN2O
Molecular Weight:
158.5856
MDL Number:
MFCD03421428
IUPAC Name:
1-ethylpyrazole-3-carbonyl chloride
InChI:
InChI=1S/C6H7ClN2O/c1-2-9-4-3-5(8-9)6(7)10/h3-4H,2H2,1H3
InChI Key:
CEKHTRVOULRKCC-UHFFFAOYSA-N
SMILES:
CCn1ccc(n1)C(=O)Cl
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.025g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.585g/mol
Monoisotopic Mass:
158.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties