Home Aminos 2-Propenoic acid, 2-(acetylamino)-3-[2-(trifluoromethyl)phenyl]-

2-Propenoic acid, 2-(acetylamino)-3-[2-(trifluoromethyl)phenyl]-

CAS No.:
3094-32-4
Catalog Number:
AG0031Q5
Molecular Formula:
C12H10F3NO3
Molecular Weight:
273.2079
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Product Description
Catalog Number:
AG0031Q5
Chemical Name:
2-Propenoic acid, 2-(acetylamino)-3-[2-(trifluoromethyl)phenyl]-
CAS Number:
3094-32-4
Molecular Formula:
C12H10F3NO3
Molecular Weight:
273.2079
MDL Number:
MFCD00016637
IUPAC Name:
(E)-2-acetamido-3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C12H10F3NO3/c1-7(17)16-10(11(18)19)6-8-4-2-3-5-9(8)12(13,14)15/h2-6H,1H3,(H,16,17)(H,18,19)/b10-6+
InChI Key:
HVLNJIRMSFAIEV-UXBLZVDNSA-N
SMILES:
CC(=O)NC(=Cc1ccccc1C(F)(F)F)C(=O)O
Properties
Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
273.061g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
273.211g/mol
Monoisotopic Mass:
273.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties