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Home > Aldehydes > 864723-37-5
864723-37-5 | 1-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS No: 864723-37-5 Catalog No: AG01AIQX MDL No:MFCD18917381
Product Description
Catalog Number:
AG01AIQX
Chemical Name:
1-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS Number:
864723-37-5
Molecular Formula:
C8H11ClN2O
Molecular Weight:
186.6387
MDL Number:
MFCD18917381
IUPAC Name:
1-(2-chloroethyl)-3,5-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C8H11ClN2O/c1-6-8(5-12)7(2)11(10-6)4-3-9/h5H,3-4H2,1-2H3
InChI Key:
KSOQXSFYWPMPHU-UHFFFAOYSA-N
SMILES:
ClCCn1nc(c(c1C)C=O)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.639g/mol
Monoisotopic Mass:
186.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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