200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 1383968-53-3
1383968-53-3 | Benzoic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-
CAS No: 1383968-53-3 Catalog No: AG00HVA5 MDL No:MFCD23380411
Product Description
Catalog Number:
AG00HVA5
Chemical Name:
Benzoic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-
CAS Number:
1383968-53-3
Molecular Formula:
C14H16BF3O4
Molecular Weight:
316.0806
MDL Number:
MFCD23380411
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C14H16BF3O4/c1-12(2)13(3,4)22-15(21-12)10-6-5-8(11(19)20)7-9(10)14(16,17)18/h5-7H,1-4H3,(H,19,20)
InChI Key:
GAGQLUHYWFNBAD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.083g/mol
Monoisotopic Mass:
316.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.