Home Halogens 3-(chloromethyl)-1-(2-phenylethyl)-1H-pyrazole

3-(chloromethyl)-1-(2-phenylethyl)-1H-pyrazole

CAS No.:
1864056-01-8
Catalog Number:
AG01AUP6
Molecular Formula:
C12H13ClN2
Molecular Weight:
220.6980
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Product Description
Catalog Number:
AG01AUP6
Chemical Name:
3-(chloromethyl)-1-(2-phenylethyl)-1H-pyrazole
CAS Number:
1864056-01-8
Molecular Formula:
C12H13ClN2
Molecular Weight:
220.6980
MDL Number:
MFCD29041160
IUPAC Name:
3-(chloromethyl)-1-(2-phenylethyl)pyrazole
InChI:
InChI=1S/C12H13ClN2/c13-10-12-7-9-15(14-12)8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2
InChI Key:
OPFONDVFAHVQLK-UHFFFAOYSA-N
SMILES:
ClCc1ccn(n1)CCc1ccccc1
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.077g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.7g/mol
Monoisotopic Mass:
220.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties