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99849-17-9,MFCD00173700
Catalog No.:AA003W4B
99849-17-9 | 8-Chloromethyl-6-nitro-4h-benzo[1,3]dioxine
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$263.00   $184.00
- +
500mg
95.0%
3 weeks  
$443.00   $310.00
- +
1g
95.0%
3 weeks  
$652.00   $456.00
- +
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Technical Information
Catalog Number:
AA003W4B
Chemical Name:
8-Chloromethyl-6-nitro-4h-benzo[1,3]dioxine
CAS Number:
99849-17-9
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
MDL Number:
MFCD00173700
IUPAC Name:
8-(chloromethyl)-6-nitro-4H-1,3-benzodioxine
InChI:
InChI=1S/C9H8ClNO4/c10-3-6-1-8(11(12)13)2-7-4-14-5-15-9(6)7/h1-2H,3-5H2
InChI Key:
PSVFVAYNOKLOMR-UHFFFAOYSA-N
SMILES:
ClCc1cc(cc2c1OCOC2)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.014g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.616g/mol
Monoisotopic Mass:
229.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
99849-17-9 
8-Chloromethyl-6-nitro-4H-benzo[1,3]dioxine 
DTXSID20396270 
ZINC3886005 
SBB015265 
STL322422 
AKOS000271129 
MCULE-7435157636 
NE11328 
BP-13169 
ST50401826 
EN300-04300 
8-(chloromethyl)-6-nitro-2,4-dihydro-1,3-benzodioxine 
8-(chloromethyl)-6-nitro-2H,4H-benzo[e]1,3-dioxane 
8-(chloromethyl)-6-nitro-2H,4H-benzo[e]1,3-dioxin 
ZINC03886005 
CID3775828 
8-(chloromethyl)-6-nitro-4H-1,3-benzodioxine 
8-(Chloromethyl)-6-nitro-4H-benzo[d][1,3]dioxine 
AC1MWKSQ 
AC1Q1XB3 
8-CHLOROMETHYL-6-NITROBENZO-1,3-DIOXAN 
SCHEMBL7087743 
CTK5I0732 
Literature
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