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Home > Aldehydes > 1315368-05-8
1315368-05-8 | 1-(3-chloropropyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS No: 1315368-05-8 Catalog No: AG01AJ5N MDL No:MFCD19382086
Product Description
Catalog Number:
AG01AJ5N
Chemical Name:
1-(3-chloropropyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1315368-05-8
Molecular Formula:
C9H13ClN2O
Molecular Weight:
200.6653
MDL Number:
MFCD19382086
IUPAC Name:
1-(3-chloropropyl)-3,5-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C9H13ClN2O/c1-7-9(6-13)8(2)12(11-7)5-3-4-10/h6H,3-5H2,1-2H3
InChI Key:
WMEIQUKZSZXOKH-UHFFFAOYSA-N
SMILES:
ClCCCn1nc(c(c1C)C=O)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.666g/mol
Monoisotopic Mass:
200.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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