Home Halogens 3-(chloromethyl)-1-(pentan-3-yl)-1H-pyrazole

3-(chloromethyl)-1-(pentan-3-yl)-1H-pyrazole

CAS No.:
1423030-91-4
Catalog Number:
AG01AKGW
Molecular Formula:
C9H15ClN2
Molecular Weight:
186.6818
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Product Description
Catalog Number:
AG01AKGW
Chemical Name:
3-(chloromethyl)-1-(pentan-3-yl)-1H-pyrazole
CAS Number:
1423030-91-4
Molecular Formula:
C9H15ClN2
Molecular Weight:
186.6818
MDL Number:
MFCD22421924
IUPAC Name:
3-(chloromethyl)-1-pentan-3-ylpyrazole
InChI:
InChI=1S/C9H15ClN2/c1-3-9(4-2)12-6-5-8(7-10)11-12/h5-6,9H,3-4,7H2,1-2H3
InChI Key:
KCHJDAKWYFDXAS-UHFFFAOYSA-N
SMILES:
CCC(n1ccc(n1)CCl)CC
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.092g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.683g/mol
Monoisotopic Mass:
186.092g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties