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Home > Boronic Acids > 1799974-98-3
1799974-98-3 | Benzenemethanol, 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1799974-98-3 Catalog No: AG0021K2 MDL No:MFCD18729958
Product Description
Catalog Number:
AG0021K2
Chemical Name:
Benzenemethanol, 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1799974-98-3
Molecular Formula:
C13H18BClO3
Molecular Weight:
268.5442
MDL Number:
MFCD18729958
IUPAC Name:
[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
InChI:
InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(15)9(7-10)8-16/h5-7,16H,8H2,1-4H3
InChI Key:
PSSMJUJQLCKZAW-UHFFFAOYSA-N
SMILES:
OCc1cc(ccc1Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.104g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.544g/mol
Monoisotopic Mass:
268.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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