Home Bromides 40774-41-2
40774-41-2,MFCD09800595
Catalog No.:AA003IWT
40774-41-2 | 3-Bromo-1-indanone
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$58.00   $40.00
- +
5g
98%
in stock  
$229.00   $160.00
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25g
98%
in stock  
$1,016.00   $712.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IWT
Chemical Name:
3-Bromo-1-indanone
CAS Number:
40774-41-2
Molecular Formula:
C9H7BrO
Molecular Weight:
211.0553
MDL Number:
MFCD09800595
IUPAC Name:
3-bromo-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H7BrO/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4,8H,5H2
InChI Key:
BSAIUCUXHVGXNK-UHFFFAOYSA-N
SMILES:
O=C1CC(c2c1cccc2)Br
Properties
Computed 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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
3-Bromo-1-indanone 
40774-41-2 
CTK4I3733 
DTXSID10471727 
BSAIUCUXHVGXNK-UHFFFAOYSA-N 
ZX-AT020666 
ANW-72617 
MFCD09800595 
SBB054681 
AKOS016007559 
AN-1897 
CS-W003645 
3-Bromoindan-1-one 
FCH1393365 
MB07683 
OR11737 
TRA0029859 
KS-00000C68 
3-Bromo-2,3-dihydro-1-oxo-1H-indene 
1H-Inden-1-one,3-bromo-2,3-dihydro- 
AS-20068 
SY031995 
3-Bromo-2,3-dihydro-1H-inden- 1 -one 
3-Bromo-2,3-dihydro-1H-inden-1-one 
AB0063776 
AX8084871 
DB-070084 
ST2417496 
TC-070349 
4CH-015488 
FT-0703562 
Z4714 
MFCD09800595 (97%) 
M-9806 
3-bromo-2,3-dihydroinden-1-one 
C9H7BrO 
CID11745912 
A6805 
1H-Inden-1-one, 3-bromo-2,3-dihydro- 
AK-32505 
3-bromo-indan-1-one 
3-Bromo indan-1-one 
SCHEMBL3696925 
Literature

Title: N-Cyclo-pentyl-N-(3-oxo-2,3-dihydro-1H-inden-1-yl)acetamide.

Journal: Acta crystallographica. Section E, Structure reports online 20120401

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