3-(chloromethyl)-5-methyl-4H-1,2,4-triazole hydrochloride

3-(chloromethyl)-5-methyl-4H-1,2,4-triazole hydrochloride

CAS: 1609404-00-3

Formula: C4H7Cl2N3

SMILES: Cl.CC1=NN=C(CCl)N1

IUPAC: 3-(chloromethyl)-5-methyl-4H-1,2,4-triazole hydrochloride

InChI: InChI=1S/C4H6ClN3.ClH/c1-3-6-4(2-5)8-7-3;/h2H2,1H3,(H,6,7,8);1H

Composition: C (28.59%), H (4.20%), Cl (42.20%), N (25.01%)

Molar Mass: 168.02

Atom Count: 16

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	167.0017026
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SFNDQQRCRPMLIO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.86
Topological Polar Surface Area	41.57
Polarizability	11.78
Ring Count	1
Rotatable Bond Count	1

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