2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid

2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid

CAS: 932796-23-1

Formula: C16H9BrClNO2

SMILES: OC(=O)C1=C2C=C(Cl)C=CC2=NC(=C1)C1=CC(Br)=CC=C1

IUPAC: 2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid

InChI: InChI=1S/C16H9BrClNO2/c17-10-3-1-2-9(6-10)15-8-13(16(20)21)12-7-11(18)4-5-14(12)19-15/h1-8H,(H,20,21)

Composition: C (53.00%), H (2.50%), Br (22.04%), Cl (9.78%), N (3.86%), O (8.82%)

Molar Mass: 362.61

Atom Count: 30

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	360.950519
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UEYRXZBCYPCXSJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	84.43
Topological Polar Surface Area	50.19
Polarizability	34.77
Ring Count	3
Rotatable Bond Count	2

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