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3-chloro-6-methyl-1,2-benzoxazole

3-chloro-6-methyl-1,2-benzoxazole

CAS: 16302-64-0

Formula: C8H6ClNO

SMILES: CC1=CC=C2C(ON=C2Cl)=C1

IUPAC: 3-chloro-6-methyl-1,2-benzoxazole

InChI: InChI=1S/C8H6ClNO/c1-5-2-3-6-7(4-5)11-10-8(6)9/h2-4H,1H3

Composition: C (57.33%), H (3.61%), Cl (21.15%), N (8.36%), O (9.55%)

Molar Mass: 167.59

Atom Count: 17

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 167.0137915
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey RUNSDQIHKJDPRK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.73
Topological Polar Surface Area 26.03
Polarizability 17.56
Ring Count 2
Rotatable Bond Count 0

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