Home Halogens 1-benzyl-4-(chloromethyl)-1H-pyrazole

1-benzyl-4-(chloromethyl)-1H-pyrazole

CAS No.:
861204-95-7
Catalog Number:
AG01A2U6
Molecular Formula:
C11H11ClN2
Molecular Weight:
206.6714
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Product Description
Catalog Number:
AG01A2U6
Chemical Name:
1-benzyl-4-(chloromethyl)-1H-pyrazole
CAS Number:
861204-95-7
Molecular Formula:
C11H11ClN2
Molecular Weight:
206.6714
MDL Number:
MFCD16862377
IUPAC Name:
1-benzyl-4-(chloromethyl)pyrazole
InChI:
InChI=1S/C11H11ClN2/c12-6-11-7-13-14(9-11)8-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2
InChI Key:
ULBADXYYKLOCGK-UHFFFAOYSA-N
SMILES:
ClCc1cnn(c1)Cc1ccccc1
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.061g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.673g/mol
Monoisotopic Mass:
206.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties