8-bromoquinoline-5-carboxylic acid

8-bromoquinoline-5-carboxylic acid

CAS: 204782-96-7

Formula: C10H6BrNO2

SMILES: OC(=O)C1=CC=C(Br)C2=NC=CC=C12

IUPAC: 8-bromoquinoline-5-carboxylic acid

InChI: InChI=1S/C10H6BrNO2/c11-8-4-3-7(10(13)14)6-2-1-5-12-9(6)8/h1-5H,(H,13,14)

Composition: C (47.65%), H (2.40%), Br (31.70%), N (5.56%), O (12.69%)

Molar Mass: 252.067

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	250.958191
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PPJDILQBGRMTFE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.86
Topological Polar Surface Area	50.19
Polarizability	22.06
Ring Count	2
Rotatable Bond Count	1

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