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Home > Boronic Acids > 1072951-65-5
1072951-65-5 | 2-[(4'-Chloro-1-naphthyloxy)methyl]phenylboronic acid
CAS No: 1072951-65-5 Catalog No: AG003G7X MDL No:MFCD08705266
Product Description
Catalog Number:
AG003G7X
Chemical Name:
2-[(4'-Chloro-1-naphthyloxy)methyl]phenylboronic acid
CAS Number:
1072951-65-5
Molecular Formula:
C17H14BClO3
Molecular Weight:
312.5553
MDL Number:
MFCD08705266
IUPAC Name:
[2-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]boronic acid
InChI:
InChI=1S/C17H14BClO3/c19-16-9-10-17(14-7-3-2-6-13(14)16)22-11-12-5-1-4-8-15(12)18(20)21/h1-10,20-21H,11H2
InChI Key:
IAOBABROWUQOMY-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1COc1ccc(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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