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8-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one

8-chloro-4,4-dimethyl-1,3-dihydroquinolin-2-one

CAS: 676116-21-5

Formula: C11H12ClNO

SMILES: CC1(C)CC(=O)NC2=C1C=CC=C2Cl

IUPAC: 8-chloro-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-2-one

InChI: InChI=1S/C11H12ClNO/c1-11(2)6-9(14)13-10-7(11)4-3-5-8(10)12/h3-5H,6H2,1-2H3,(H,13,14)

Composition: C (63.01%), H (5.77%), Cl (16.91%), N (6.68%), O (7.63%)

Molar Mass: 209.67

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 209.0607417
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey DKDXVAZEBXCVKQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.01
Topological Polar Surface Area 29.1
Polarizability 21.88
Ring Count 2
Rotatable Bond Count 0

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