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Home > Boronic Acids > 947533-94-0
947533-94-0 | 4-Methyl-3-trifluoromethyl-phenylboronic acid
CAS No: 947533-94-0 Catalog No: AG00IIIK MDL No:MFCD11042431
Product Description
Catalog Number:
AG00IIIK
Chemical Name:
4-Methyl-3-trifluoromethyl-phenylboronic acid
CAS Number:
947533-94-0
Molecular Formula:
C8H8BF3O2
Molecular Weight:
203.9541
MDL Number:
MFCD11042431
IUPAC Name:
[4-methyl-3-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O2/c1-5-2-3-6(9(13)14)4-7(5)8(10,11)12/h2-4,13-14H,1H3
InChI Key:
LXQGVSGCAAPNEL-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C(F)(F)F)C)O
Properties
Complexity:
196
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:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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