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302911-88-2 | 2-Furancarboxylic acid, 5-[2-chloro-5-(trifluoromethyl)phenyl]-
CAS No: 302911-88-2 Catalog No: AG002ZHL MDL No:MFCD00274247
Product Description
Catalog Number:
AG002ZHL
Chemical Name:
2-Furancarboxylic acid, 5-[2-chloro-5-(trifluoromethyl)phenyl]-
CAS Number:
302911-88-2
Molecular Formula:
C12H6ClF3O3
Molecular Weight:
290.6224
MDL Number:
MFCD00274247
IUPAC Name:
5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid
InChI:
InChI=1S/C12H6ClF3O3/c13-8-2-1-6(12(14,15)16)5-7(8)9-3-4-10(19-9)11(17)18/h1-5H,(H,17,18)
InChI Key:
SSIFVNBQAZVYCS-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1c1ccc(o1)C(=O)O)C(F)(F)F
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.996g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.622g/mol
Monoisotopic Mass:
289.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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