3-bromoquinoline-7-carboxylic acid

3-bromoquinoline-7-carboxylic acid

CAS: 1344046-13-4

Formula: C10H6BrNO2

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

IUPAC: 3-bromoquinoline-7-carboxylic acid

InChI: InChI=1S/C10H6BrNO2/c11-8-3-6-1-2-7(10(13)14)4-9(6)12-5-8/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	VHZHOJLAAXVYSL-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	CAS	PacketSize	UnitPrice
95%	<5 Days	1344046-13-4		$325.34-$948.27$325.34$481.70$948.27