Home Other Building Blocks 3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enoic acid

3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enoic acid

CAS No.:
380193-53-3
Catalog Number:
AG01EM0X
Molecular Formula:
C16H12F2O3
Molecular Weight:
290.2615
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Product Description
Catalog Number:
AG01EM0X
Chemical Name:
3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enoic acid
CAS Number:
380193-53-3
Molecular Formula:
C16H12F2O3
Molecular Weight:
290.2615
MDL Number:
MFCD06660556
IUPAC Name:
(Z)-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enoic acid
InChI:
InChI=1S/C16H12F2O3/c17-16(18)21-13-8-6-11(7-9-13)10-14(15(19)20)12-4-2-1-3-5-12/h1-10,16H,(H,19,20)/b14-10-
InChI Key:
NWLRLIOHTHGLHV-UVTDQMKNSA-N
SMILES:
FC(Oc1ccc(cc1)C=C(c1ccccc1)C(=O)O)F
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
290.075g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
290.266g/mol
Monoisotopic Mass:
290.075g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties