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158205-19-7 | 1H-Inden-1-one, 5-amino-6-bromo-2,3-dihydro-
CAS No: 158205-19-7 Catalog No: AG001Q16 MDL No:
Product Description
Catalog Number:
AG001Q16
Chemical Name:
1H-Inden-1-one, 5-amino-6-bromo-2,3-dihydro-
CAS Number:
158205-19-7
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
IUPAC Name:
5-amino-6-bromo-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H8BrNO/c10-7-4-6-5(3-8(7)11)1-2-9(6)12/h3-4H,1-2,11H2
InChI Key:
CCOFLYKTUCBGSG-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1cc(Br)c(c2)N
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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