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1260790-91-7 | 4H-Furo[3,2-b]pyrrole-5-carboxylic acid, 2-bromo-3a,6a-dihydro-
CAS No: 1260790-91-7 Catalog No: AG000RA2 MDL No:
Product Description
Catalog Number:
AG000RA2
Chemical Name:
4H-Furo[3,2-b]pyrrole-5-carboxylic acid, 2-bromo-3a,6a-dihydro-
CAS Number:
1260790-91-7
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
IUPAC Name:
2-bromo-4,6a-dihydro-3aH-furo[3,2-b]pyrrole-5-carboxylic acid
InChI:
InChI=1S/C7H6BrNO3/c8-6-2-3-5(12-6)1-4(9-3)7(10)11/h1-3,5,9H,(H,10,11)
InChI Key:
GVDSSFVUIBZSKN-UHFFFAOYSA-N
SMILES:
BrC1=CC2C(O1)C=C(N2)C(=O)O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.953g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.033g/mol
Monoisotopic Mass:
230.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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