Home Halogens 1-tert-butyl-4-(chloromethyl)-1H-pyrazole hydrochloride

1-tert-butyl-4-(chloromethyl)-1H-pyrazole hydrochloride

CAS No.:
861135-53-7
Catalog Number:
AG01B4WC
Molecular Formula:
C8H14Cl2N2
Molecular Weight:
209.1162
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Product Description
Catalog Number:
AG01B4WC
Chemical Name:
1-tert-butyl-4-(chloromethyl)-1H-pyrazole hydrochloride
CAS Number:
861135-53-7
Molecular Formula:
C8H14Cl2N2
Molecular Weight:
209.1162
MDL Number:
MFCD29991816
IUPAC Name:
1-tert-butyl-4-(chloromethyl)pyrazole;hydrochloride
InChI:
InChI=1S/C8H13ClN2.ClH/c1-8(2,3)11-6-7(4-9)5-10-11;/h5-6H,4H2,1-3H3;1H
InChI Key:
NCYZDBVWNDYSFB-UHFFFAOYSA-N
SMILES:
ClCc1cnn(c1)C(C)(C)C.Cl
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.053g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.114g/mol
Monoisotopic Mass:
208.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties