3-bromo-3aH,4H,6aH-furo[3,2-b]pyrrole-5-carboxylic acid

3-bromo-3aH,4H,6aH-furo[3,2-b]pyrrole-5-carboxylic acid

CAS: 1260812-18-7

Formula: C7H6BrNO3

SMILES: OC(=O)C1=CC2OC=C(Br)C2N1

IUPAC: 3-bromo-3aH,4H,6aH-furo[3,2-b]pyrrole-5-carboxylic acid

InChI: InChI=1/C7H6BrNO3/c8-3-2-12-5-1-4(7(10)11)9-6(3)5/h1-2,5-6,9H,(H,10,11)

Composition: C (36.23%), H (2.61%), Br (34.44%), N (6.04%), O (20.69%)

Molar Mass: 232.033

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	230.953106
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DJLJQGZKXSRNDI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.67
Topological Polar Surface Area	58.56
Polarizability	17.1
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1260812-18-7		$1,760.00-$2,970.00$1,760.00$2,200.00$2,970.00