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127199-12-6 | Cyclopropanecarboxamide, 2-fluoro-N-[(1R)-1-phenylethyl]-, (1R,2R)-
CAS No: 127199-12-6 Catalog No: AG000WQP MDL No:MFCD27501021
Product Description
Catalog Number:
AG000WQP
Chemical Name:
Cyclopropanecarboxamide, 2-fluoro-N-[(1R)-1-phenylethyl]-, (1R,2R)-
CAS Number:
127199-12-6
Molecular Formula:
C12H14FNO
Molecular Weight:
207.2441
MDL Number:
MFCD27501021
IUPAC Name:
N-[(1R,2S)-2-fluorocyclopropyl]-N-[(1R)-1-phenylethyl]acetamide
InChI:
InChI=1S/C13H16FNO/c1-9(11-6-4-3-5-7-11)15(10(2)16)13-8-12(13)14/h3-7,9,12-13H,8H2,1-2H3/t9-,12+,13-/m1/s1
InChI Key:
OCTBCPYJCKBUPG-JIMOISOXSA-N
SMILES:
C[C@H](c1ccccc1)NC(=O)[C@H]1C[C@H]1F
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
221.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.275g/mol
Monoisotopic Mass:
221.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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