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832730-40-2 | 4-Oxazolecarboxylic acid, 2-[(1E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-
CAS No: 832730-40-2 Catalog No: AG004TBG MDL No:
Product Description
Catalog Number:
AG004TBG
Chemical Name:
4-Oxazolecarboxylic acid, 2-[(1E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-
CAS Number:
832730-40-2
Molecular Formula:
C13H8F3NO3
Molecular Weight:
283.2027
IUPAC Name:
2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C13H8F3NO3/c14-13(15,16)9-4-1-8(2-5-9)3-6-11-17-10(7-20-11)12(18)19/h1-7H,(H,18,19)
InChI Key:
QOFYIBPWKHJYKM-UHFFFAOYSA-N
SMILES:
OC(=O)c1coc(n1)/C=C/c1ccc(cc1)C(F)(F)F
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.206g/mol
Monoisotopic Mass:
283.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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