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426844-51-1 | (S);-4,4-Difluoropyrrolidine-2-carboxamide hydrochloride
CAS No: 426844-51-1 Catalog No: AG003CMA MDL No:MFCD06797014
Product Description
Catalog Number:
AG003CMA
Chemical Name:
(S);-4,4-Difluoropyrrolidine-2-carboxamide hydrochloride
CAS Number:
426844-51-1
Molecular Formula:
C5H9ClF2N2O
Molecular Weight:
186.5876
MDL Number:
MFCD06797014
IUPAC Name:
(2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
InChI:
InChI=1S/C5H8F2N2O.ClH/c6-5(7)1-3(4(8)10)9-2-5;/h3,9H,1-2H2,(H2,8,10);1H/t3-;/m0./s1
InChI Key:
RRQDQYAEZGKHOB-DFWYDOINSA-N
SMILES:
NC(=O)[C@H]1NCC(C1)(F)F.Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
186.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
186.587g/mol
Monoisotopic Mass:
186.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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