Home Bromides 1014-18-2
1014-18-2,MFCD04972619
Catalog No.:AA0004CA
1014-18-2 | Ethanone, 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-2-yl)-
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Technical Information
Catalog Number:
AA0004CA
Chemical Name:
Ethanone, 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-2-yl)-
CAS Number:
1014-18-2
Molecular Formula:
C10H9BrO3
Molecular Weight:
257.0807
MDL Number:
MFCD04972619
IUPAC Name:
2-bromo-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
InChI:
InChI=1S/C10H9BrO3/c11-5-7(12)10-6-13-8-3-1-2-4-9(8)14-10/h1-4,10H,5-6H2
InChI Key:
XHYCSCBAALGUBR-UHFFFAOYSA-N
SMILES:
BrCC(=O)C1COc2c(O1)cccc2
Properties
Computed Properties
 
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.974g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.083g/mol
Monoisotopic Mass:
255.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
1014-18-2 
Ethanone, 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-2-yl)- 
XHYCSCBAALGUBR-UHFFFAOYSA-N 
2-(2-bromoacetyl)-1,4-benzodioxan 
MFCD04972619 
AKOS017552794 
AB21219 
NE49653 
2-bromo-1-(1,4-benzodioxan-2-yl)ethanone 
Ethanone,2-bromo-1-(2,3-dihydro-1,4-benzodioxin-2-yl)- 
2-bromo-1-(2,3-dihydrobenzo[b][1,4]dioxine-2-yl)-1-ethanone 
2-BROMO-1-(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)ETHAN-1-ONE 
2-BROMO-1-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-2-YL)ETHANONE 
2-BROMO-1-(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)-1-ETHANONE 
2-bromoacetyl-1,4-benzodioxan 
SCHEMBL7441886 
2 -bromoacetyl-1,4-benzodioxan 
CTK3J9771 
DTXSID20504252 
Literature
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