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102539-53-7 | 1H-Inden-1-one, 4-bromo-2,3-dihydro-3-methyl-
CAS No: 102539-53-7 Catalog No: AG0007O4 MDL No:MFCD11149281
Product Description
Catalog Number:
AG0007O4
Chemical Name:
1H-Inden-1-one, 4-bromo-2,3-dihydro-3-methyl-
CAS Number:
102539-53-7
Molecular Formula:
C10H9BrO
Molecular Weight:
225.0819
MDL Number:
MFCD11149281
IUPAC Name:
4-bromo-3-methyl-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9BrO/c1-6-5-9(12)7-3-2-4-8(11)10(6)7/h2-4,6H,5H2,1H3
InChI Key:
KRXGZWSZRJEHMX-UHFFFAOYSA-N
SMILES:
CC1CC(=O)c2c1c(Br)ccc2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.984g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.085g/mol
Monoisotopic Mass:
223.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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