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Home > Boronic Acids > 779331-28-1
779331-28-1 | Phenol, 4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 779331-28-1 Catalog No: AG00ICWL MDL No:MFCD16994461
Product Description
Catalog Number:
AG00ICWL
Chemical Name:
Phenol, 4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
779331-28-1
Molecular Formula:
C12H16BClO3
Molecular Weight:
254.5176
MDL Number:
MFCD16994461
IUPAC Name:
4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI:
InChI=1S/C12H16BClO3/c1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15/h5-7,15H,1-4H3
InChI Key:
FJCPWBJRPORWHV-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cc(Cl)ccc1O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.517g/mol
Monoisotopic Mass:
254.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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