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Home > Aldehydes > 864723-36-4
864723-36-4 | 1-(2-CHLOROETHYL)-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 864723-36-4 Catalog No: AG008G4E MDL No:MFCD03727245
Product Description
Catalog Number:
AG008G4E
Chemical Name:
1-(2-CHLOROETHYL)-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
864723-36-4
Molecular Formula:
C6H7ClN2O
Molecular Weight:
158.5856
MDL Number:
MFCD03727245
IUPAC Name:
1-(2-chloroethyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C6H7ClN2O/c7-1-2-9-4-6(5-10)3-8-9/h3-5H,1-2H2
InChI Key:
KSLJPAOCJHQWEZ-UHFFFAOYSA-N
SMILES:
ClCCn1cc(cn1)C=O
Properties
Complexity:
120
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:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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