Home Other Building Blocks 4-hydroxy-8-(trifluoromethyl)-2H-chromen-2-one

4-hydroxy-8-(trifluoromethyl)-2H-chromen-2-one

CAS No.:
1539002-96-4
Catalog Number:
AG01EML2
Molecular Formula:
C10H5F3O3
Molecular Weight:
230.1401
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Product Description
Catalog Number:
AG01EML2
Chemical Name:
4-hydroxy-8-(trifluoromethyl)-2H-chromen-2-one
CAS Number:
1539002-96-4
Molecular Formula:
C10H5F3O3
Molecular Weight:
230.1401
MDL Number:
MFCD26684776
IUPAC Name:
4-hydroxy-8-(trifluoromethyl)chromen-2-one
InChI:
InChI=1S/C10H5F3O3/c11-10(12,13)6-3-1-2-5-7(14)4-8(15)16-9(5)6/h1-4,14H
InChI Key:
BNHQMTCBDBDLTG-UHFFFAOYSA-N
SMILES:
O=c1cc(O)c2c(o1)c(ccc2)C(F)(F)F
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.019g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.142g/mol
Monoisotopic Mass:
230.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties