Home Halogens 6-amino-7-bromo-2,3-dihydro-1H-inden-1-one

6-amino-7-bromo-2,3-dihydro-1H-inden-1-one

CAS No.:
681246-49-1
Catalog Number:
AG00FEOR
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
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Product Description
Catalog Number:
AG00FEOR
Chemical Name:
6-amino-7-bromo-2,3-dihydro-1H-inden-1-one
CAS Number:
681246-49-1
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD16249550
IUPAC Name:
6-amino-7-bromo-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H8BrNO/c10-9-6(11)3-1-5-2-4-7(12)8(5)9/h1,3H,2,4,11H2
InChI Key:
VMRJYVAAFYLRCR-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1c(Br)c(cc2)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  
Properties