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88099-68-7 | Propanoic acid, 3-[bis(phenylmethyl)amino]-2-fluoro-, methyl ester, (R)-
CAS No: 88099-68-7 Catalog No: AG004EGU MDL No:MFCD29055298
Product Description
Catalog Number:
AG004EGU
Chemical Name:
Propanoic acid, 3-[bis(phenylmethyl)amino]-2-fluoro-, methyl ester, (R)-
CAS Number:
88099-68-7
Molecular Formula:
C18H20FNO2
Molecular Weight:
301.3553
MDL Number:
MFCD29055298
IUPAC Name:
methyl (2R)-3-(dibenzylamino)-2-fluoropropanoate
InChI:
InChI=1S/C18H20FNO2/c1-22-18(21)17(19)14-20(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3/t17-/m1/s1
InChI Key:
OBKSTEOVEUUBBH-QGZVFWFLSA-N
SMILES:
COC(=O)[C@@H](CN(Cc1ccccc1)Cc1ccccc1)F
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
301.148g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.361g/mol
Monoisotopic Mass:
301.148g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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