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3,6-dichloro-1,2-benzoxazole

3,6-dichloro-1,2-benzoxazole

CAS: 16263-54-0

Formula: C7H3Cl2NO

SMILES: ClC1=NOC2=CC(Cl)=CC=C12

IUPAC: 3,6-dichloro-1,2-benzoxazole

InChI: InChI=1S/C7H3Cl2NO/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H

Composition: C (44.72%), H (1.61%), Cl (37.71%), N (7.45%), O (8.51%)

Molar Mass: 188.01

Atom Count: 14

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 186.9591691
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey POPXRBHETNDMFP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.5
Topological Polar Surface Area 26.03
Polarizability 17.7
Ring Count 2
Rotatable Bond Count 0

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