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187872-11-3 | 1H-Inden-1-one, 5-bromo-2,3-dihydro-6-methoxy-
CAS No: 187872-11-3 Catalog No: AG002GIZ MDL No:
Product Description
Catalog Number:
AG002GIZ
Chemical Name:
1H-Inden-1-one, 5-bromo-2,3-dihydro-6-methoxy-
CAS Number:
187872-11-3
Molecular Formula:
C10H9BrO2
Molecular Weight:
241.0813
IUPAC Name:
5-bromo-6-methoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9BrO2/c1-13-10-5-7-6(4-8(10)11)2-3-9(7)12/h4-5H,2-3H2,1H3
InChI Key:
UOPZFPWKIZTDRV-UHFFFAOYSA-N
SMILES:
COc1cc2C(=O)CCc2cc1Br
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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