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5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole

5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole

CAS: 439095-17-7

Formula: C16H12FNO3

SMILES: FC1=CC=C(C=C1)C1=C2C=C(C=CC2=NO1)C1OCCO1

IUPAC: 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole

InChI: InChI=1S/C16H12FNO3/c17-12-4-1-10(2-5-12)15-13-9-11(16-19-7-8-20-16)3-6-14(13)18-21-15/h1-6,9,16H,7-8H2

Composition: C (67.37%), H (4.24%), F (6.66%), N (4.91%), O (16.82%)

Molar Mass: 285.274

Atom Count: 33

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 285.080121413
Formal Charge 0
FSP3 0.19
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey OSJBBSMIHCPHSS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.19
Topological Polar Surface Area 44.49
Polarizability 30.6
Ring Count 4
Rotatable Bond Count 2

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 439095-17-7 $51.35-$86.31$51.35$63.37$86.31
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