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Home > Boronic Acids > 204981-49-7
204981-49-7 | Benzoic acid, 2-borono-4-(trifluoromethyl)-, 1-(2,2-dimethylpropyl) ester
CAS No: 204981-49-7 Catalog No: AG00I3VK MDL No:MFCD01631850
Product Description
Catalog Number:
AG00I3VK
Chemical Name:
Benzoic acid, 2-borono-4-(trifluoromethyl)-, 1-(2,2-dimethylpropyl) ester
CAS Number:
204981-49-7
MDL Number:
MFCD01631850
IUPAC Name:
[2-(2,2-dimethylpropoxycarbonyl)-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C13H16BF3O4/c1-12(2,3)7-21-11(18)9-5-4-8(13(15,16)17)6-10(9)14(19)20/h4-6,19-20H,7H2,1-3H3
InChI Key:
FKFFRSYPSCAHAE-UHFFFAOYSA-N
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.109g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.072g/mol
Monoisotopic Mass:
304.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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