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Home > Boronic Acids > 127972-17-2
127972-17-2 | Boronic acid, [5-methyl-2-(phenylmethoxy)phenyl]- (9CI)
CAS No: 127972-17-2 Catalog No: AG000XMT MDL No:MFCD06801733
Product Description
Catalog Number:
AG000XMT
Chemical Name:
Boronic acid, [5-methyl-2-(phenylmethoxy)phenyl]- (9CI)
CAS Number:
127972-17-2
Molecular Formula:
C14H15BO3
Molecular Weight:
242.0781
MDL Number:
MFCD06801733
IUPAC Name:
(5-methyl-2-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C14H15BO3/c1-11-7-8-14(13(9-11)15(16)17)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3
InChI Key:
AMBDTEZABFLVAD-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)B(O)O)OCc1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.081g/mol
Monoisotopic Mass:
242.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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