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

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

CAS: 19219-99-9

Formula: C8H6ClNO

SMILES: CC1=NC2=CC(Cl)=CC=C2O1

IUPAC: 5-chloro-2-methyl-1,3-benzoxazole

InChI: InChI=1S/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/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	HJCIGAUHTJBHBQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.97
Topological Polar Surface Area	26.03
Polarizability	17.45
Ring Count	2
Rotatable Bond Count	0

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