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1448440-50-3 | (S)-1-[2-(Boc-amino)acetyl]-4,4-difluoropyrrolidine-2-carbonitrile
CAS No: 1448440-50-3 Catalog No: AG01FLQ6 MDL No:
Product Description
Catalog Number:
AG01FLQ6
Chemical Name:
(S)-1-[2-(Boc-amino)acetyl]-4,4-difluoropyrrolidine-2-carbonitrile
CAS Number:
1448440-50-3
IUPAC Name:
tert-butyl N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]carbamate
InChI:
InChI=1S/C12H17F2N3O3/c1-11(2,3)20-10(19)16-6-9(18)17-7-12(13,14)4-8(17)5-15/h8H,4,6-7H2,1-3H3,(H,16,19)
InChI Key:
WOOAQTYGIARQIQ-UHFFFAOYSA-N
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.124g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.283g/mol
Monoisotopic Mass:
289.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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