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4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]benzonitrile

4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]benzonitrile

CAS: 1232238-53-7

Formula: C12H9ClN2O

SMILES: CC1=C(CCl)N=C(O1)C1=CC=C(C=C1)C#N

IUPAC: 4-[4-(chloromethyl)-5-methyl-1,3-oxazol-2-yl]benzonitrile

InChI: InChI=1S/C12H9ClN2O/c1-8-11(6-13)15-12(16-8)10-4-2-9(7-14)3-5-10/h2-5H,6H2,1H3

Composition: C (61.95%), H (3.90%), Cl (15.24%), N (12.04%), O (6.88%)

Molar Mass: 232.67

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 232.0403406
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YOZIQPKYTFLLPG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.08
Topological Polar Surface Area 49.82
Polarizability 23.84
Ring Count 2
Rotatable Bond Count 2

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95% <5 Days 1232238-53-7 $1,540.00-$2,860.00$1,540.00$1,760.00$2,860.00
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