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2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenol

2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenol

CAS: 90272-96-1

Formula: C9H7ClN2O2

SMILES: OC1=CC=CC=C1C1=NOC(CCl)=N1

IUPAC: 2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenol

InChI: InChI=1S/C9H7ClN2O2/c10-5-8-11-9(12-14-8)6-3-1-2-4-7(6)13/h1-4,13H,5H2

Composition: C (51.32%), H (3.35%), Cl (16.83%), N (13.30%), O (15.19%)

Molar Mass: 210.62

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 210.0196052
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JWQIETXHXBMYPY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.26
Topological Polar Surface Area 59.15
Polarizability 20.04
Ring Count 2
Rotatable Bond Count 2

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