Home Boronic acids 3-(ethoxyMethyl)-4-fluorophenylboronic acid

3-(ethoxyMethyl)-4-fluorophenylboronic acid

CAS No.:
1704066-77-2
Catalog Number:
AG00AR96
Molecular Formula:
C9H12BFO3
Molecular Weight:
197.9992
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Product Description
Catalog Number:
AG00AR96
Chemical Name:
3-(ethoxyMethyl)-4-fluorophenylboronic acid
CAS Number:
1704066-77-2
Molecular Formula:
C9H12BFO3
Molecular Weight:
197.9992
MDL Number:
MFCD28384219
IUPAC Name:
[3-(ethoxymethyl)-4-fluorophenyl]boronic acid
InChI:
InChI=1S/C9H12BFO3/c1-2-14-6-7-5-8(10(12)13)3-4-9(7)11/h3-5,12-13H,2,6H2,1H3
InChI Key:
JWFXXKJWAOJNIV-UHFFFAOYSA-N
SMILES:
CCOCc1cc(ccc1F)B(O)O
Properties
Complexity:
168  
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:
4  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties