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Home Carboxys 6,6-Difluoro-[1,4]diazepane-1-carboxylic acid tert-butyl ester

6,6-Difluoro-[1,4]diazepane-1-carboxylic acid tert-butyl ester

CAS No.:
1166820-07-0
Catalog Number:
AG000CZL
Molecular Formula:
C10H18F2N2O2
Molecular Weight:
236.2589
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$315
- +
250mg
95%
In Stock USA
United States
$588
- +
1g
95%
In Stock USA
United States
$1176
- +
5g
95%
In Stock USA
United States
$3528
- +
Product Description
Catalog Number:
AG000CZL
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
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  
Properties