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

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

CAS: 405173-68-4

Formula: C10H11ClN2

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

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

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

Composition: C (61.70%), H (5.70%), Cl (18.21%), N (14.39%)

Molar Mass: 194.66

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	194.0610761
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	HDTZCVJNZSQFOH-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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