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27006-76-4 | 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carboxaldehyde
CAS No: 27006-76-4 Catalog No: AG00348O MDL No:MFCD00052538
Product Description
Catalog Number:
AG00348O
Chemical Name:
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carboxaldehyde
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 |
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