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Home > Boronic Acids > 313545-40-3
313545-40-3 | 4-ISOPROPOXY-2-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
CAS No: 313545-40-3 Catalog No: AG00BXS7 MDL No:MFCD04972373
Product Description
Catalog Number:
AG00BXS7
Chemical Name:
4-ISOPROPOXY-2-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
CAS Number:
313545-40-3
Molecular Formula:
C10H12BF3O3
Molecular Weight:
248.0067
MDL Number:
MFCD04972373
IUPAC Name:
[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C10H12BF3O3/c1-6(2)17-7-3-4-9(11(15)16)8(5-7)10(12,13)14/h3-6,15-16H,1-2H3
InChI Key:
MQWMPOPSYRZCAI-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(c(c1)C(F)(F)F)B(O)O)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.008g/mol
Monoisotopic Mass:
248.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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