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Home > Boronic Acids > 1256358-57-2
1256358-57-2 | Boronic acid, B-[4-(4-chloro-2-fluorophenoxy)phenyl]-
CAS No: 1256358-57-2 Catalog No: AG000O5P MDL No:MFCD14581927
Product Description
Catalog Number:
AG000O5P
Chemical Name:
Boronic acid, B-[4-(4-chloro-2-fluorophenoxy)phenyl]-
CAS Number:
1256358-57-2
Molecular Formula:
C12H9BClFO3
Molecular Weight:
266.4605
MDL Number:
MFCD14581927
IUPAC Name:
[4-(4-chloro-2-fluorophenoxy)phenyl]boronic acid
InChI:
InChI=1S/C12H9BClFO3/c14-9-3-6-12(11(15)7-9)18-10-4-1-8(2-5-10)13(16)17/h1-7,16-17H
InChI Key:
UQQJHJBZZCELBT-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)F)Oc1ccc(cc1)B(O)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.032g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.459g/mol
Monoisotopic Mass:
266.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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