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Home > Boronic Acids > 957120-93-3
957120-93-3 | 2-CHLORO-3-ETHOXY-6-FLUOROPHENYLBORONIC ACID
CAS No: 957120-93-3 Catalog No: AG005YD7 MDL No:MFCD09800880
Product Description
Catalog Number:
AG005YD7
Chemical Name:
2-CHLORO-3-ETHOXY-6-FLUOROPHENYLBORONIC ACID
CAS Number:
957120-93-3
Molecular Formula:
C8H9BClFO3
Molecular Weight:
218.4177
MDL Number:
MFCD09800880
IUPAC Name:
(2-chloro-3-ethoxy-6-fluorophenyl)boronic acid
InChI:
InChI=1S/C8H9BClFO3/c1-2-14-6-4-3-5(11)7(8(6)10)9(12)13/h3-4,12-13H,2H2,1H3
InChI Key:
OYOREJXDXHCMPQ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1Cl)B(O)O)F
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.415g/mol
Monoisotopic Mass:
218.032g/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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