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Home > Boronic Acids > 874219-36-0
874219-36-0 | (3-Ethoxycarbonyl-4-fluorophenyl)boronic acid
CAS No: 874219-36-0 Catalog No: AG004MY1 MDL No:MFCD08061836
Product Description
Catalog Number:
AG004MY1
Chemical Name:
(3-Ethoxycarbonyl-4-fluorophenyl)boronic acid
CAS Number:
874219-36-0
Molecular Formula:
C9H10BFO4
Molecular Weight:
211.9827
MDL Number:
MFCD08061836
IUPAC Name:
(3-ethoxycarbonyl-4-fluorophenyl)boronic acid
InChI:
InChI=1S/C9H10BFO4/c1-2-15-9(12)7-5-6(10(13)14)3-4-8(7)11/h3-5,13-14H,2H2,1H3
InChI Key:
YCXMTPOFCTUKTB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(ccc1F)B(O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.066g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.983g/mol
Monoisotopic Mass:
212.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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