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185835-97-6

185835-97-6 | (5S)-5-(Methoxymethyl)-3-[6-(4,4,4-Trifluorobutoxy)-1,2-Benzoxazol-3-Yl]-1,3-Oxazolidin-2-One

CAS No: 185835-97-6 Catalog No: AG00387U MDL No:

Product Description

Catalog Number:
AG00387U
Chemical Name:
(5S)-5-(Methoxymethyl)-3-[6-(4,4,4-Trifluorobutoxy)-1,2-Benzoxazol-3-Yl]-1,3-Oxazolidin-2-One
CAS Number:
185835-97-6
Molecular Formula:
C16H17F3N2O5
Molecular Weight:
374.3118
IUPAC Name:
(5S)-5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C16H17F3N2O5/c1-23-9-11-8-21(15(22)25-11)14-12-4-3-10(7-13(12)26-20-14)24-6-2-5-16(17,18)19/h3-4,7,11H,2,5-6,8-9H2,1H3/t11-/m0/s1
InChI Key:
SQMNCLANJWZZOG-NSHDSACASA-N
SMILES:
COC[C@H]1OC(=O)N(C1)c1noc2c1ccc(c2)OCCCC(F)(F)F

Properties

Complexity:
493  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
374.109g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.316g/mol
Monoisotopic Mass:
374.109g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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