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Home > Aldehydes > 1315367-32-8
1315367-32-8 | 1-(4-chlorobutyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS No: 1315367-32-8 Catalog No: AG01AJ84 MDL No:MFCD19382138
Product Description
Catalog Number:
AG01AJ84
Chemical Name:
1-(4-chlorobutyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1315367-32-8
Molecular Formula:
C10H15ClN2O
Molecular Weight:
214.6919
MDL Number:
MFCD19382138
IUPAC Name:
1-(4-chlorobutyl)-3,5-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H15ClN2O/c1-8-10(7-14)9(2)13(12-8)6-4-3-5-11/h7H,3-6H2,1-2H3
InChI Key:
UKLGDEMSIMZESV-UHFFFAOYSA-N
SMILES:
ClCCCCn1nc(c(c1C)C=O)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.693g/mol
Monoisotopic Mass:
214.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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