Home Carboxys rac-(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid, trans

rac-(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid, trans

CAS No.:
238431-33-9
Catalog Number:
AG01BHEX
Molecular Formula:
C11H9F3O3
Molecular Weight:
246.1826
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Product Description
Catalog Number:
AG01BHEX
Chemical Name:
rac-(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid, trans
CAS Number:
238431-33-9
Molecular Formula:
C11H9F3O3
Molecular Weight:
246.1826
MDL Number:
MFCD30503021
IUPAC Name:
(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C11H9F3O3/c12-11(13,14)17-7-3-1-6(2-4-7)8-5-9(8)10(15)16/h1-4,8-9H,5H2,(H,15,16)/t8-,9+/m0/s1
InChI Key:
IYYOCNQIQCLRHF-DTWKUNHWSA-N
SMILES:
OC(=O)[C@@H]1C[C@H]1c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
246.05g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.185g/mol
Monoisotopic Mass:
246.05g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties