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

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

CAS: 1260790-91-7

Formula: C7H6BrNO3

SMILES: OC(=O)C1=CC2OC(Br)=CC2N1

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

InChI: InChI=1/C7H6BrNO3/c8-6-2-3-5(12-6)1-4(9-3)7(10)11/h1-3,5,9H,(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	GVDSSFVUIBZSKN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.59
Topological Polar Surface Area	58.56
Polarizability	17.11
Ring Count	2
Rotatable Bond Count	1

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