5-chloro-2-(chloromethyl)-1,3-benzoxazole

5-chloro-2-(chloromethyl)-1,3-benzoxazole

CAS: 63842-22-8

Formula: C8H5Cl2NO

SMILES: ClCC1=NC2=CC(Cl)=CC=C2O1

IUPAC: 5-chloro-2-(chloromethyl)-1,3-benzoxazole

InChI: InChI=1S/C8H5Cl2NO/c9-4-8-11-6-3-5(10)1-2-7(6)12-8/h1-3H,4H2

Composition: C (47.56%), H (2.49%), Cl (35.09%), N (6.93%), O (7.92%)

Molar Mass: 202.03

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	200.9748192
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	SMGVJNOYBXYDFB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.72
Topological Polar Surface Area	26.03
Polarizability	19.38
Ring Count	2
Rotatable Bond Count	1

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