7-bromoisoquinoline-1-carboxylic acid

7-bromoisoquinoline-1-carboxylic acid

Formula: C10H6BrNO2

SMILES: OC(=O)C1=C2C=C(Br)C=CC2=CC=N1

IUPAC: 7-bromoisoquinoline-1-carboxylic acid

InChI: InChI=1S/C10H6BrNO2/c11-7-2-1-6-3-4-12-9(10(13)14)8(6)5-7/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	VRDJRQZUFMEDGK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.86
Topological Polar Surface Area	50.19
Polarizability	22.05
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C10H6BrNO2		Quote Only