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Home > Boronic Acids > 1218790-90-9
1218790-90-9 | Boronic acid, B-[3-[[(4-chloro-1-naphthalenyl)oxy]methyl]phenyl]-
CAS No: 1218790-90-9 Catalog No: AG0016A3 MDL No:
Product Description
Catalog Number:
AG0016A3
Chemical Name:
Boronic acid, B-[3-[[(4-chloro-1-naphthalenyl)oxy]methyl]phenyl]-
CAS Number:
1218790-90-9
Molecular Formula:
C17H14BClO3
Molecular Weight:
312.5553
IUPAC Name:
[3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]boronic acid
InChI:
InChI=1S/C17H14BClO3/c19-16-8-9-17(15-7-2-1-6-14(15)16)22-11-12-4-3-5-13(10-12)18(20)21/h1-10,20-21H,11H2
InChI Key:
SPRJYGMDTJQRIW-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)COc1ccc(c2c1cccc2)Cl)O
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.556g/mol
Monoisotopic Mass:
312.072g/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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