Home Other Building Blocks rac-[(2R,3S)-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-yl]methanol, trans

rac-[(2R,3S)-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-yl]methanol, trans

CAS No.:
2059910-44-8
Catalog Number:
AG01BR3M
Molecular Formula:
C11H11F3O2
Molecular Weight:
232.1990
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Product Description
Catalog Number:
AG01BR3M
Chemical Name:
rac-[(2R,3S)-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-yl]methanol, trans
CAS Number:
2059910-44-8
Molecular Formula:
C11H11F3O2
Molecular Weight:
232.1990
MDL Number:
MFCD30530239
IUPAC Name:
[(2R,3S)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
InChI:
InChI=1S/C11H11F3O2/c12-11(13,14)10-8(6-15)5-7-3-1-2-4-9(7)16-10/h1-4,8,10,15H,5-6H2/t8-,10+/m0/s1
InChI Key:
ANZAULJOYFYKLZ-WCBMZHEXSA-N
SMILES:
OC[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
232.071g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.202g/mol
Monoisotopic Mass:
232.071g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties