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Home > Boronic Acids > 698998-84-4
698998-84-4 | {2-[3-(trifluoromethyl)phenyl]ethenyl}boronic acid
CAS No: 698998-84-4 Catalog No: AG00G1ZC MDL No:MFCD05865156
Product Description
Catalog Number:
AG00G1ZC
Chemical Name:
{2-[3-(trifluoromethyl)phenyl]ethenyl}boronic acid
CAS Number:
698998-84-4
Molecular Formula:
C9H8BF3O2
Molecular Weight:
215.9648
MDL Number:
MFCD05865156
IUPAC Name:
[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]boronic acid
InChI:
InChI=1S/C9H8BF3O2/c11-9(12,13)8-3-1-2-7(6-8)4-5-10(14)15/h1-6,14-15H/b5-4+
InChI Key:
HGEVMEKGPYPLRD-SNAWJCMRSA-N
SMILES:
OB(C=Cc1cccc(c1)C(F)(F)F)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
216.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.966g/mol
Monoisotopic Mass:
216.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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