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1007459-98-4,MFCD07366666
Catalog No.:AA0002OO
1007459-98-4 | Carbamic acid, N-(methyl-d3)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
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Technical Information
Catalog Number:
AA0002OO
Chemical Name:
Carbamic acid, N-(methyl-d3)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
CAS Number:
1007459-98-4
Molecular Formula:
C12H12D3NO3
Molecular Weight:
224.2709
MDL Number:
MFCD07366666
IUPAC Name:
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(trideuteriomethyl)carbamate
InChI:
InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)/i3D3
InChI Key:
DUEPRVBVGDRKAG-HPRDVNIFSA-N
SMILES:
O=C(NC([2H])([2H])[2H])Oc1cccc2c1OC(C2)(C)C
Properties
Computed Properties
 
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.124g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
3  
Molecular Weight:
224.274g/mol
Monoisotopic Mass:
224.124g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
Carbofuran-d3 
1007459-98-4 
FT-0664262 
Carbofuran-d3, PESTANAL(R), analytical standard 
J-000209 
Carbofuran D3 (N-methyl D3) 100 microg/mL in Acetone 
2,3-Dihydro-2,2-dimethyl-7-benzofuranol N-methylcarbamate-d3 
2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (~2~H_3_)methylcarbamate 
Carbamic acid, N-(methyl-d3)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester 
Carbofuran D3 
CS-T-50281 
Carbofuran D3 (N-methyl D3) 
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(trideuteriomethyl)carbamate 
Furadan-d3 
Bay 70143-d3 
CTK8F8462 
DTXSID70583577 
NIA-10242-d3 
AKOS030243147 
Literature
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