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Home > Boronic Acids > 1072951-77-9
1072951-77-9 | (2-((Naphthalen-1-yloxy)methyl)phenyl)boronic acid
CAS No: 1072951-77-9 Catalog No: AG003G7K MDL No:MFCD08276831
Product Description
Catalog Number:
AG003G7K
Chemical Name:
(2-((Naphthalen-1-yloxy)methyl)phenyl)boronic acid
CAS Number:
1072951-77-9
Molecular Formula:
C17H15BO3
Molecular Weight:
278.1102
MDL Number:
MFCD08276831
IUPAC Name:
[2-(naphthalen-1-yloxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C17H15BO3/c19-18(20)16-10-4-2-7-14(16)12-21-17-11-5-8-13-6-1-3-9-15(13)17/h1-11,19-20H,12H2
InChI Key:
QXLULGNNNOYHIY-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1COc1cccc2c1cccc2)O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.114g/mol
Monoisotopic Mass:
278.111g/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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