2-(chloromethyl)-4,5-dimethyl-1H-1,3-benzodiazole hydrochloride

2-(chloromethyl)-4,5-dimethyl-1H-1,3-benzodiazole hydrochloride

CAS: 1609395-19-8

Formula: C10H12Cl2N2

SMILES: Cl.CC1=CC=C2NC(CCl)=NC2=C1C

IUPAC: 2-(chloromethyl)-4,5-dimethyl-1H-1,3-benzodiazole hydrochloride

InChI: InChI=1S/C10H11ClN2.ClH/c1-6-3-4-8-10(7(6)2)13-9(5-11)12-8;/h3-4H,5H2,1-2H3,(H,12,13);1H

Composition: C (51.97%), H (5.23%), Cl (30.68%), N (12.12%)

Molar Mass: 231.12

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	230.0377538
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	MTTZVTVYYPKUOM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.24
Topological Polar Surface Area	28.68
Polarizability	21.83
Ring Count	2
Rotatable Bond Count	1

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95%	<4 Days	1609395-19-8		$58.65-$1,998.70$58.65$232.30$1,998.70