3-bromoquinolin-1-ium-1-olate

3-bromoquinolin-1-ium-1-olate

CAS: 22615-00-5

Formula: C9H6BrNO

SMILES: [O-][N+]1=C2C=CC=CC2=CC(Br)=C1

IUPAC: 3-bromoquinolin-1-ium-1-olate

InChI: InChI=1S/C9H6BrNO/c10-8-5-7-3-1-2-4-9(7)11(12)6-8/h1-6H

Composition: C (48.25%), H (2.70%), Br (35.66%), N (6.25%), O (7.14%)

Molar Mass: 224.057

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	222.963277
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	LANTXZGXVINCPP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.16
Topological Polar Surface Area	26.94
Polarizability	20.13
Ring Count	2
Rotatable Bond Count	0

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