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Home Aldehydes 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde

5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde

CAS No.:
27006-76-4
Catalog Number:
AG00348O
Molecular Formula:
C6H7ClN2O
Molecular Weight:
158.5856
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$18
- +
5g
98%
In Stock USA
United States
$50
- +
10g
98%
In Stock USA
United States
$88
- +
25g
98%
In Stock USA
United States
$175
- +
100g
98%
In Stock USA
United States
$613
- +
Product Description
Catalog Number:
AG00348O
Chemical Name:
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CAS Number:
27006-76-4
Molecular Formula:
C6H7ClN2O
Molecular Weight:
158.5856
MDL Number:
MFCD00052538
IUPAC Name:
5-chloro-1,3-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C6H7ClN2O/c1-4-5(3-10)6(7)9(2)8-4/h3H,1-2H3
InChI Key:
SZRSMNYUEXXEBL-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1Cl)C
Properties
Complexity:
142  
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:
1  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde. Acta crystallographica. Section E, Structure reports online 20111101
Properties