Home Halogens rac-(2R,3R)-3-(chloromethyl)-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran, trans

rac-(2R,3R)-3-(chloromethyl)-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran, trans

CAS No.:
2059912-20-6
Catalog Number:
AG01BR3L
Molecular Formula:
C11H10ClF3O
Molecular Weight:
250.6447
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Product Description
Catalog Number:
AG01BR3L
Chemical Name:
rac-(2R,3R)-3-(chloromethyl)-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran, trans
CAS Number:
2059912-20-6
Molecular Formula:
C11H10ClF3O
Molecular Weight:
250.6447
MDL Number:
MFCD30530203
IUPAC Name:
(2R,3R)-3-(chloromethyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene
InChI:
InChI=1S/C11H10ClF3O/c12-6-8-5-7-3-1-2-4-9(7)16-10(8)11(13,14)15/h1-4,8,10H,5-6H2/t8-,10+/m0/s1
InChI Key:
VBCGMIXPTHXJNW-WCBMZHEXSA-N
SMILES:
ClC[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
250.037g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.645g/mol
Monoisotopic Mass:
250.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties