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1005609-70-0 | 1H-Pyrazole-5-carboxaldehyde, 4-chloro-1-ethyl-
CAS No: 1005609-70-0 Catalog No: AG0002C9 MDL No:MFCD03419805
Product Description
Catalog Number:
AG0002C9
Chemical Name:
1H-Pyrazole-5-carboxaldehyde, 4-chloro-1-ethyl-
CAS Number:
1005609-70-0
Molecular Formula:
C6H7ClN2O
Molecular Weight:
158.5856
MDL Number:
MFCD03419805
IUPAC Name:
4-chloro-2-ethylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C6H7ClN2O/c1-2-9-6(4-10)5(7)3-8-9/h3-4H,2H2,1H3
InChI Key:
RALDUINQWFDEEY-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1C=O)Cl
Properties
Complexity:
131
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
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