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1303974-65-3

1303974-65-3 | 1-(Tertbutoxycarbonyl)-4,4-difluoropiperidine-3-carboxylic acid

CAS No: 1303974-65-3 Catalog No: AG0039DH MDL No:MFCD18909829

Product Description

Catalog Number:
AG0039DH
Chemical Name:
1-(Tertbutoxycarbonyl)-4,4-difluoropiperidine-3-carboxylic acid
CAS Number:
1303974-65-3
Molecular Formula:
C11H17F2NO4
Molecular Weight:
265.2538
MDL Number:
MFCD18909829
IUPAC Name:
4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-5-4-11(12,13)7(6-14)8(15)16/h7H,4-6H2,1-3H3,(H,15,16)
InChI Key:
OEXVKTNKFKHQQQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(CCC1(F)F)C(=O)OC(C)(C)C

Properties

Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.113g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.257g/mol
Monoisotopic Mass:
265.113g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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