Molecular Structure of 1H-Pyrazole,4-(chloromethyl)-, hydrochloride (1:1) (CAS No.163008-98-8):
Molecular Formula: C4H6Cl2N2
Molecular Weight: 153.0098
IUPAC Name: 4-(Chloromethyl)-1H-pyrazole hydrochloride
CAS No: 163008-98-8
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 28.68 Å2
Flash Point: 133.7 °C
Enthalpy of Vaporization: 54.81 kJ/mol
Boiling Point: 297.5 °C at 760 mmHg
Vapour Pressure: 0.00101 mmHg at 25°C
Canonical SMILES: C1=C(C=NN1)CCl.Cl
InChI: InChI=1S/C4H5ClN2.ClH/c5-1-4-2-6-7-3-4;/h2-3H,1H2,(H,6,7);1H
InChIKey: JOYZFWASSSHIMA-UHFFFAOYSA-N
1H-Pyrazole,4-(chloromethyl)-, hydrochloride (1:1) (CAS No.163008-98-8), it also can be called 4-(Chloromethyl)-1H-pyrazole hydrochloride (1:1) ; 4-(Chloromethyl)-1H-pyrazole hydrochloride .
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