6-amino-5-bromo-1-benzofuran-3-carboxylic acid

6-amino-5-bromo-1-benzofuran-3-carboxylic acid

Formula: C9H6BrNO3

SMILES: NC1=C(Br)C=C2C(OC=C2C(O)=O)=C1

IUPAC: 6-amino-5-bromo-1-benzofuran-3-carboxylic acid

InChI: InChI=1S/C9H6BrNO3/c10-6-1-4-5(9(12)13)3-14-8(4)2-7(6)11/h1-3H,11H2,(H,12,13)

Composition: C (42.22%), H (2.36%), Br (31.21%), N (5.47%), O (18.74%)

Molar Mass: 256.055

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	254.953106
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	IYAQETNSNNDWDV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.48
Topological Polar Surface Area	76.46
Polarizability	21.08
Ring Count	2
Rotatable Bond Count	1

Suppliers

LabNetwork INC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	1 Day	C9H6BrNO3		$442.26-$1,651.10$442.26$825.55$1,651.10