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Home > Boronic Acids > 1257648-77-3
1257648-77-3 | Boronic acid, B-[3-[2-[(4-chloro-1-naphthalenyl)oxy]ethyl]phenyl]-
CAS No: 1257648-77-3 Catalog No: AG000ONO MDL No:
Product Description
Catalog Number:
AG000ONO
Chemical Name:
Boronic acid, B-[3-[2-[(4-chloro-1-naphthalenyl)oxy]ethyl]phenyl]-
CAS Number:
1257648-77-3
Molecular Formula:
C18H16BClO3
Molecular Weight:
326.5818
IUPAC Name:
[3-[2-(4-chloronaphthalen-1-yl)oxyethyl]phenyl]boronic acid
InChI:
InChI=1S/C18H16BClO3/c20-17-8-9-18(16-7-2-1-6-15(16)17)23-11-10-13-4-3-5-14(12-13)19(21)22/h1-9,12,21-22H,10-11H2
InChI Key:
GWHYATBGYANRCV-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)CCOc1ccc(c2c1cccc2)Cl)O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.088g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.583g/mol
Monoisotopic Mass:
326.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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