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Home > Boronic Acids > 1704066-77-2
1704066-77-2 | 3-(ethoxyMethyl)-4-fluorophenylboronic acid
CAS No: 1704066-77-2 Catalog No: AG00AR96 MDL No:MFCD28384219
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
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