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1166820-07-0,MFCD17015572
Catalog No.:AA000CWT
1166820-07-0 | 6,6-Difluoro-[1,4]diazepane-1-carboxylic acid tert-butyl ester
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100mg
95%
in stock  
$346.00   $242.00
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250mg
95%
in stock  
$646.00   $452.00
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1g
95%
in stock  
$1,291.00   $904.00
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5g
95%
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$3,871.00   $2,710.00
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  • Technical Information
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Technical Information
Catalog Number:
AA000CWT
Chemical Name:
6,6-Difluoro-[1,4]diazepane-1-carboxylic acid tert-butyl ester
CAS Number:
1166820-07-0
Molecular Formula:
C10H18F2N2O2
Molecular Weight:
236.2589
MDL Number:
MFCD17015572
IUPAC Name:
tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate
InChI:
InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-5-4-13-6-10(11,12)7-14/h13H,4-7H2,1-3H3
InChI Key:
QELRSCXQUXCUED-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCC(C1)(F)F)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.134g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.263g/mol
Monoisotopic Mass:
236.134g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
1166820-07-0 
tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate 
AM805713 
AS-39719 
TX-013502 
6,6-Difluoro-[1,4]diazepane-1-carboxylic acid tert-butyl ester, AldrichCPR 
1H-1,4-Diazepine-1-carboxylic acid, 6,6-difluorohexahydro-, 1,1-dimethylethyl ester 
6,6-DIFLUORO-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 
SCHEMBL2264531 
CTK4A9938 
DTXSID50718845 
QELRSCXQUXCUED-UHFFFAOYSA-N 
MFCD17015572 
ZINC71864485 
AKOS024156517 
Literature
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