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309922-87-0 | 2-Benzofurancarboxamide, 3-amino-5-bromo-
CAS No: 309922-87-0 Catalog No: AG0031V9 MDL No:
Product Description
Catalog Number:
AG0031V9
Chemical Name:
2-Benzofurancarboxamide, 3-amino-5-bromo-
CAS Number:
309922-87-0
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
IUPAC Name:
3-amino-5-bromo-1-benzofuran-2-carboxamide
InChI:
InChI=1S/C9H7BrN2O2/c10-4-1-2-6-5(3-4)7(11)8(14-6)9(12)13/h1-3H,11H2,(H2,12,13)
InChI Key:
MDPCOQFYSWIALR-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(N)c(o2)C(=O)N
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.071g/mol
Monoisotopic Mass:
253.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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