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Home > Bromides > 1003048-74-5
1003048-74-5 | 1H-Inden-1-one, 7-bromo-2,3-dihydro-5-methoxy-
CAS No: 1003048-74-5 Catalog No: AG0001K3 MDL No:
Product Description
Catalog Number:
AG0001K3
Chemical Name:
1H-Inden-1-one, 7-bromo-2,3-dihydro-5-methoxy-
CAS Number:
1003048-74-5
Molecular Formula:
C10H9BrO2
Molecular Weight:
241.0813
IUPAC Name:
7-bromo-5-methoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9BrO2/c1-13-7-4-6-2-3-9(12)10(6)8(11)5-7/h4-5H,2-3H2,1H3
InChI Key:
OZDYYVZUHUNFCS-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c2c(c1)CCC2=O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.084g/mol
Monoisotopic Mass:
239.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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