6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

CAS: 351000-02-7

Formula: C18H14BrNO2

SMILES: CC1=CC=C(C=C1)C1=NC2=CC=C(Br)C=C2C(C(O)=O)=C1C

IUPAC: 6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

InChI: InChI=1S/C18H14BrNO2/c1-10-3-5-12(6-4-10)17-11(2)16(18(21)22)14-9-13(19)7-8-15(14)20-17/h3-9H,1-2H3,(H,21,22)

Composition: C (60.69%), H (3.96%), Br (22.43%), N (3.93%), O (8.98%)

Molar Mass: 356.219

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	355.020792
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IJKOKQJXLDYBKI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	89.7
Topological Polar Surface Area	50.19
Polarizability	36.39
Ring Count	3
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	351000-02-7		$104.66-$349.30$104.66$153.84$349.30