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N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]prop-2-enamide

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]prop-2-enamide

CAS: 1998702-63-8

Formula: C12H9ClN2O2

SMILES: ClC1=CC=C(C=C1)C1=NOC(NC(=O)C=C)=C1

IUPAC: N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]prop-2-enamide

InChI: InChI=1S/C12H9ClN2O2/c1-2-11(16)14-12-7-10(15-17-12)8-3-5-9(13)6-4-8/h2-7H,1H2,(H,14,16)

Composition: C (57.96%), H (3.65%), Cl (14.26%), N (11.27%), O (12.87%)

Molar Mass: 248.67

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 248.0352552
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey UDVALJVWVOKOIT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.83
Topological Polar Surface Area 55.13
Polarizability 25.61
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1998702-63-8 $51.35-$86.31$51.35$63.37$86.31
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