Home Bromides 102539-53-7
102539-53-7,MFCD11149281
Catalog No.:AA0007LC
102539-53-7 | 1H-Inden-1-one, 4-bromo-2,3-dihydro-3-methyl-
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Technical Information
Catalog Number:
AA0007LC
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
Computed 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  

Synonyms
 
4-bromo-3-methyl-2,3-dihydro-1H-inden-1-one 
102539-53-7 
NE15000 
EN300-54974 
1H-Inden-1-one, 4-bromo-2,3-dihydro-3-methyl- 
Z1245633266 
AC1Q2QIG 
4-bromo-3-methyl-1-indanone 
4-Bromo-3-methylindan-1-one 
SCHEMBL2480306 
KRXGZWSZRJEHMX-UHFFFAOYSA-N 
AKOS000249619 
AKOS016904215 
MCULE-2479632584 
Literature
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