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Home Halogens 1-benzyl-5-chloro-4-(chloromethyl)-3-methyl-1H-pyrazole

1-benzyl-5-chloro-4-(chloromethyl)-3-methyl-1H-pyrazole

CAS No.:
1152610-59-7
Catalog Number:
AG019VW7
Molecular Formula:
C12H12Cl2N2
Molecular Weight:
255.1431
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Product Description
Catalog Number:
AG019VW7
Chemical Name:
1-benzyl-5-chloro-4-(chloromethyl)-3-methyl-1H-pyrazole
CAS Number:
1152610-59-7
Molecular Formula:
C12H12Cl2N2
Molecular Weight:
255.1431
MDL Number:
MFCD11208506
IUPAC Name:
1-benzyl-5-chloro-4-(chloromethyl)-3-methylpyrazole
InChI:
InChI=1S/C12H12Cl2N2/c1-9-11(7-13)12(14)16(15-9)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChI Key:
PTQJZIKKIGXUSH-UHFFFAOYSA-N
SMILES:
ClCc1c(C)nn(c1Cl)Cc1ccccc1
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.038g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.142g/mol
Monoisotopic Mass:
254.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties