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3-chloro-5-methoxy-4-propoxybenzonitrile

3-chloro-5-methoxy-4-propoxybenzonitrile

Formula: C11H12ClNO2

SMILES: CCCOC1=C(OC)C=C(C=C1Cl)C#N

IUPAC: 3-chloro-5-methoxy-4-propoxybenzonitrile

InChI: InChI=1S/C11H12ClNO2/c1-3-4-15-11-9(12)5-8(7-13)6-10(11)14-2/h5-6H,3-4H2,1-2H3

Composition: C (58.55%), H (5.36%), Cl (15.71%), N (6.21%), O (14.18%)

Molar Mass: 225.67

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 225.0556563
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey RRKSJUONQCFLEL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.78
Topological Polar Surface Area 42.25
Polarizability 22.79
Ring Count 1
Rotatable Bond Count 4

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98% <10 Days C11H12ClNO2 Quote Only
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