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1260007-58-6 | 1H-Inden-1-one, 4-amino-5-bromo-2,3-dihydro-
CAS No: 1260007-58-6 Catalog No: AG000QPH MDL No:
Product Description
Catalog Number:
AG000QPH
Chemical Name:
1H-Inden-1-one, 4-amino-5-bromo-2,3-dihydro-
CAS Number:
1260007-58-6
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
IUPAC Name:
4-amino-5-bromo-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H8BrNO/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3H,2,4,11H2
InChI Key:
NMVLNZOPEQRTAO-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1ccc(c2N)Br
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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