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Home > Boronic Acids > 1451391-66-4

1451391-66-4

1451391-66-4 | 6-Ethoxy-2-fluoro-3-methylphenylboronic acid

CAS No: 1451391-66-4 Catalog No: AG00HXDI MDL No:MFCD19981512

Product Description

Catalog Number:
AG00HXDI
Chemical Name:
6-Ethoxy-2-fluoro-3-methylphenylboronic acid
CAS Number:
1451391-66-4
Molecular Formula:
C9H12BFO3
Molecular Weight:
197.9992
MDL Number:
MFCD19981512
IUPAC Name:
(6-ethoxy-2-fluoro-3-methylphenyl)boronic acid
InChI:
InChI=1S/C9H12BFO3/c1-3-14-7-5-4-6(2)9(11)8(7)10(12)13/h4-5,12-13H,3H2,1-2H3
InChI Key:
JTSLXSWVFHCAPO-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1B(O)O)F)C

Properties

Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.086g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
198g/mol
Monoisotopic Mass:
198.086g/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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