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Home > Boronic Acids > 1256358-47-0
1256358-47-0 | Boronic acid, B-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-
CAS No: 1256358-47-0 Catalog No: AG000O5Y MDL No:MFCD12634049
Product Description
Catalog Number:
AG000O5Y
Chemical Name:
Boronic acid, B-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-
CAS Number:
1256358-47-0
Molecular Formula:
C13H11BCl2O3
Molecular Weight:
296.9416
MDL Number:
MFCD12634049
IUPAC Name:
[3-[(3,4-dichlorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H11BCl2O3/c15-12-5-4-9(6-13(12)16)8-19-11-3-1-2-10(7-11)14(17)18/h1-7,17-18H,8H2
InChI Key:
JEJDEZZCBNZPMW-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)OCc1ccc(c(c1)Cl)Cl)O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.938g/mol
Monoisotopic Mass:
296.018g/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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