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Home > Boronic Acids > 21948-55-0
21948-55-0 | 3-TRIFLUOROMETHYLBENZYLBORONIC ACID
CAS No: 21948-55-0 Catalog No: AG00BINM MDL No:MFCD11856001
Product Description
Catalog Number:
AG00BINM
Chemical Name:
3-TRIFLUOROMETHYLBENZYLBORONIC ACID
CAS Number:
21948-55-0
Molecular Formula:
C8H8BF3O2
Molecular Weight:
203.9541
MDL Number:
MFCD11856001
IUPAC Name:
[3-(trifluoromethyl)phenyl]methylboronic acid
InChI:
InChI=1S/C8H8BF3O2/c10-8(11,12)7-3-1-2-6(4-7)5-9(13)14/h1-4,13-14H,5H2
InChI Key:
PKPAVUHCLJYRNZ-UHFFFAOYSA-N
SMILES:
OB(Cc1cccc(c1)C(F)(F)F)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.955g/mol
Monoisotopic Mass:
204.057g/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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