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Home > Aldehydes > 1315366-63-2
1315366-63-2 | 1-(4-chlorobutyl)-1H-pyrazole-4-carbaldehyde
CAS No: 1315366-63-2 Catalog No: AG01AJ85 MDL No:MFCD19382139
Product Description
Catalog Number:
AG01AJ85
Chemical Name:
1-(4-chlorobutyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1315366-63-2
Molecular Formula:
C8H11ClN2O
Molecular Weight:
186.6387
MDL Number:
MFCD19382139
IUPAC Name:
1-(4-chlorobutyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C8H11ClN2O/c9-3-1-2-4-11-6-8(7-12)5-10-11/h5-7H,1-4H2
InChI Key:
UMGROLHEYICERG-UHFFFAOYSA-N
SMILES:
ClCCCCn1cc(cn1)C=O
Properties
Complexity:
143
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:
5
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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