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14548-39-1 | 1H-Inden-1-one, 6-bromo-2,3-dihydro-
CAS No: 14548-39-1 Catalog No: AG001D30 MDL No:MFCD02179286
Product Description
Catalog Number:
AG001D30
Chemical Name:
1H-Inden-1-one, 6-bromo-2,3-dihydro-
CAS Number:
14548-39-1
Molecular Formula:
C9H7BrO
Molecular Weight:
211.0553
MDL Number:
MFCD02179286
IUPAC Name:
6-bromo-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H7BrO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2
InChI Key:
SEQHEDQNODAFIU-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)CC2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.968g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.058g/mol
Monoisotopic Mass:
209.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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