Home Bromides 1017783-09-3
1017783-09-3,MFCD09972273
Catalog No.:AA0005GM
1017783-09-3 | 6-Bromo-1,4-dihydro-2h-3,1-benzoxazin-2-one
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1g
95%
in stock  
$143.00   $100.00
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5g
95%
in stock  
$477.00   $334.00
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10g
95%
in stock  
$873.00   $611.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0005GM
Chemical Name:
6-Bromo-1,4-dihydro-2h-3,1-benzoxazin-2-one
CAS Number:
1017783-09-3
Molecular Formula:
C8H6BrNO2
Molecular Weight:
228.0427
MDL Number:
MFCD09972273
IUPAC Name:
6-bromo-1,4-dihydro-3,1-benzoxazin-2-one
InChI:
InChI=1S/C8H6BrNO2/c9-6-1-2-7-5(3-6)4-12-8(11)10-7/h1-3H,4H2,(H,10,11)
InChI Key:
SSTOTANBGDRSRF-UHFFFAOYSA-N
SMILES:
O=C1OCc2c(N1)ccc(c2)Br
Properties
Computed Properties
 
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.958g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.045g/mol
Monoisotopic Mass:
226.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
6-bromo-1,4-dihydro-2H-3,1-benzoxazin-2-one 
1017783-09-3 
SSTOTANBGDRSRF-UHFFFAOYSA-N 
ACT06771 
0469AA 
ANW-56065 
SBB069651 
ZINC14007930 
AKOS005073746 
CB-2773 
CM14341 
FCH1396744 
6-bromo-1H-benzo[d][1,3]oxazin-2(4H)-one 
MCULE-4369626612 
NB-0808 
RP13125 
RTR-033822 
SB11737 
KS-000004H5 
AJ-64721 
AK-37763 
AM802844 
AN-25994 
6-bromo-2,4-dihydro-1H-3,1-benzoxazin-2-one 
OR400397 
SY059722 
AB0004535 
AX8163677 
DB-012294 
TR-033822 
CS-0050297 
FT-0655462 
MFCD09972273 (95%) 
C-4461 
MFCD09972273 
2H-3,1-Benzoxazin-2-one,6-bromo-1,4-dihydro- 
6-bromo-1,4-dihydro-benzo[d][1,3]oxazin-2-one 
783B093 
2H-3,1-Benzoxazin-2-one, 6-bromo-1,4-dihydro- 
6-bromo-1H,4H-benzo[d]1,3-oxazaperhydroin-2-one 
J-518295 
S14-1651 
6-Bromo-1,4-dihydro-2H-3,1-benzoxazin-2-one, AldrichCPR 
C8H6BrNO2 
A16293 
6-bromo-1,4-dihydro-3,1-benzoxazin-2-one 
bromodihydrobenzoxazinone 
SCHEMBL787497 
CTK4A0227 
DTXSID60649792 
Literature
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