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2-(2-chloroethyl)-5-methyl-1H-1,3-benzodiazole

2-(2-chloroethyl)-5-methyl-1H-1,3-benzodiazole

CAS: 915921-57-2

Formula: C10H11ClN2

SMILES: CC1=CC=C2NC(CCCl)=NC2=C1

IUPAC: 2-(2-chloroethyl)-5-methyl-1H-1,3-benzodiazole

InChI: InChI=1S/C10H11ClN2/c1-7-2-3-8-9(6-7)13-10(12-8)4-5-11/h2-3,6H,4-5H2,1H3,(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 DJFLGANITLDWJR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.9
Topological Polar Surface Area 28.68
Polarizability 21.83
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 915921-57-2 $202.14$202.14
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