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2060047-27-8 | 3-(3-chloropropyl)-1-methyl-1H-pyrazole-4-carbaldehyde
CAS No: 2060047-27-8 Catalog No: AG01C00C MDL No:MFCD30497752
Product Description
Catalog Number:
AG01C00C
Chemical Name:
3-(3-chloropropyl)-1-methyl-1H-pyrazole-4-carbaldehyde
CAS Number:
2060047-27-8
Molecular Formula:
C8H11ClN2O
Molecular Weight:
186.6387
MDL Number:
MFCD30497752
IUPAC Name:
3-(3-chloropropyl)-1-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C8H11ClN2O/c1-11-5-7(6-12)8(10-11)3-2-4-9/h5-6H,2-4H2,1H3
InChI Key:
JTSBCDPUQAOFBH-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)CCCCl)C=O
Properties
Complexity:
154
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:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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