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Home > Boronic Acids > 1256345-62-6
1256345-62-6 | Benzoic acid, 2-borono-6-(trifluoromethyl)-
CAS No: 1256345-62-6 Catalog No: AG000O03 MDL No:MFCD17214244
Product Description
Catalog Number:
AG000O03
Chemical Name:
Benzoic acid, 2-borono-6-(trifluoromethyl)-
CAS Number:
1256345-62-6
Molecular Formula:
C8H6BF3O4
Molecular Weight:
233.9370
MDL Number:
MFCD17214244
IUPAC Name:
2-borono-6-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H6BF3O4/c10-8(11,12)4-2-1-3-5(9(15)16)6(4)7(13)14/h1-3,15-16H,(H,13,14)
InChI Key:
LLSDYDOLXOLHPQ-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1C(=O)O)C(F)(F)F)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
233.937g/mol
Monoisotopic Mass:
234.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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