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909122-50-5

909122-50-5 | (3-Chloro-4-ethoxy-2-fluorophenyl);boronic acid

CAS No: 909122-50-5 Catalog No: AG006GFV MDL No:MFCD15144702

Product Description

Catalog Number:
AG006GFV
Chemical Name:
(3-Chloro-4-ethoxy-2-fluorophenyl);boronic acid
CAS Number:
909122-50-5
Molecular Formula:
C8H9BClFO3
Molecular Weight:
218.4177
MDL Number:
MFCD15144702
IUPAC Name:
(3-chloro-4-ethoxy-2-fluorophenyl)boronic acid
InChI:
InChI=1S/C8H9BClFO3/c1-2-14-6-4-3-5(9(12)13)8(11)7(6)10/h3-4,12-13H,2H2,1H3
InChI Key:
BSNGRABEOSVUSC-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1Cl)F)B(O)O

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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