6-bromo-2-methylquinoline-4-carboxylic acid

6-bromo-2-methylquinoline-4-carboxylic acid

CAS: 37509-21-0

Formula: C11H8BrNO2

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

IUPAC: 6-bromo-2-methylquinoline-4-carboxylic acid

InChI: InChI=1S/C11H8BrNO2/c1-6-4-9(11(14)15)8-5-7(12)2-3-10(8)13-6/h2-5H,1H3,(H,14,15)

Composition: C (49.65%), H (3.03%), Br (30.03%), N (5.26%), O (12.03%)

Molar Mass: 266.094

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	264.973842
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QOTNALKWUMJLPS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.45
Topological Polar Surface Area	50.19
Polarizability	23.8
Ring Count	2
Rotatable Bond Count	1

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