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Home > Boronic Acids > 870778-84-0
870778-84-0 | (4-(((4-Chloronaphthalen-1-yl)oxy)methyl)phenyl)boronic acid
CAS No: 870778-84-0 Catalog No: AG003BTR MDL No:MFCD08276763
Product Description
Catalog Number:
AG003BTR
Chemical Name:
(4-(((4-Chloronaphthalen-1-yl)oxy)methyl)phenyl)boronic acid
CAS Number:
870778-84-0
Molecular Formula:
C17H14BClO3
Molecular Weight:
312.5553
MDL Number:
MFCD08276763
IUPAC Name:
[4-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]boronic acid
InChI:
InChI=1S/C17H14BClO3/c19-16-9-10-17(15-4-2-1-3-14(15)16)22-11-12-5-7-13(8-6-12)18(20)21/h1-10,20-21H,11H2
InChI Key:
HFDWDXIYFHVORX-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)COc1ccc(c2c1cccc2)Cl)O
Properties
Complexity:
347
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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