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Home > Boronic Acids > 313546-16-6
313546-16-6 | 4-METHOXY-2-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
CAS No: 313546-16-6 Catalog No: AG00BXS6 MDL No:MFCD03095346
Product Description
Catalog Number:
AG00BXS6
Chemical Name:
4-METHOXY-2-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
CAS Number:
313546-16-6
Molecular Formula:
C8H8BF3O3
Molecular Weight:
219.9535
MDL Number:
MFCD03095346
IUPAC Name:
[4-methoxy-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O3/c1-15-5-2-3-7(9(13)14)6(4-5)8(10,11)12/h2-4,13-14H,1H3
InChI Key:
ZBCRZEJNAADYKG-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(F)(F)F)B(O)O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.954g/mol
Monoisotopic Mass:
220.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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