Text Search
Structure Search

6-chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid

6-chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid

CAS: 445289-11-2

Formula: C18H14ClNO2

SMILES: CC1=C(C)C=C(C=C1)C1=CC(C(O)=O)=C2C=C(Cl)C=CC2=N1

IUPAC: 6-chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid

InChI: InChI=1S/C18H14ClNO2/c1-10-3-4-12(7-11(10)2)17-9-15(18(21)22)14-8-13(19)5-6-16(14)20-17/h3-9H,1-2H3,(H,21,22)

Composition: C (69.35%), H (4.53%), Cl (11.37%), N (4.49%), O (10.26%)

Molar Mass: 311.77

Atom Count: 36

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 311.0713064
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NAFAYTBCOPFSHO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 86.89
Topological Polar Surface Area 50.19
Polarizability 35.64
Ring Count 3
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 445289-11-2 $101.60$101.60
Request Quote