Home Bromides 1000577-81-0
1000577-81-0,MFCD09878671
Catalog No.:AA0000OX
Thieno[3,2-c]pyridine-5(4H)-carboxylic acid, 3-bromo-6,7-dihydro-, 1,1-dimethylethyl ester | 1000577-81-0
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500mg
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$374.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0000OX
Chemical Name:
Thieno[3,2-c]pyridine-5(4H)-carboxylic acid, 3-bromo-6,7-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1000577-81-0
Molecular Formula:
C12H16BrNO2S
Molecular Weight:
318.2299
MDL Number:
MFCD09878671
IUPAC Name:
tert-butyl 3-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
InChI:
InChI=1S/C12H16BrNO2S/c1-12(2,3)16-11(15)14-5-4-10-8(6-14)9(13)7-17-10/h7H,4-6H2,1-3H3
InChI Key:
OZMHRZWKQLSLQP-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)c(Br)cs2)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.009g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.229g/mol
Monoisotopic Mass:
317.009g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
tert-butyl 3-Bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate 
1000577-81-0 
MFCD09878671 
ZINC35269710 
AKOS015835724 
FCH1627207 
AJ-90867 
BC004292 
DS-15549 
AX8162753 
DB-058268 
ST2407663 
AK-50793 
TR-039454 
4CH-018474 
FT-0718075 
tert-butyl 3-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate 
tert-Butyl3-Bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate 
Thieno[3,2-c]pyridine-5(4H)-carboxylic acid, 3-bromo-6,7-dihydro-, 1,1-dimethylethyl ester 
C12H16BrNO2S 
PubChem17835 
SCHEMBL17377231 
CTK7G2912 
DTXSID90659980 
KS-00000I0E 
0072AA 
ANW-66389 
Literature
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