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Home > Fluorides > 877384-16-2
877384-16-2 | benzyl (1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-ylcarbamate
CAS No: 877384-16-2 Catalog No: AG004IOW MDL No:MFCD19053235
Product Description
Catalog Number:
AG004IOW
Chemical Name:
benzyl (1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-ylcarbamate
CAS Number:
877384-16-2
Molecular Formula:
C19H17F6NO3
Molecular Weight:
421.3336
MDL Number:
MFCD19053235
IUPAC Name:
benzyl N-[(1R,2S)-1-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]carbamate
InChI:
InChI=1S/C19H17F6NO3/c1-11(26-17(28)29-10-12-5-3-2-4-6-12)16(27)13-7-14(18(20,21)22)9-15(8-13)19(23,24)25/h2-9,11,16,27H,10H2,1H3,(H,26,28)/t11-,16-/m0/s1
InChI Key:
AWBAPOAGBOTVOQ-ZBEGNZNMSA-N
SMILES:
O=C(N[C@H]([C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O)C)OCc1ccccc1
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
421.111g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
421.339g/mol
Monoisotopic Mass:
421.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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