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Home > Boronic Acids > 1072952-52-3
1072952-52-3 | (3-(Ethoxycarbonyl);-2-fluorophenyl);boronic acid
CAS No: 1072952-52-3 Catalog No: AG0084W9 MDL No:MFCD08064050
Product Description
Catalog Number:
AG0084W9
Chemical Name:
(3-(Ethoxycarbonyl);-2-fluorophenyl);boronic acid
CAS Number:
1072952-52-3
Molecular Formula:
C9H10BFO4
Molecular Weight:
211.9827
MDL Number:
MFCD08064050
IUPAC Name:
(3-ethoxycarbonyl-2-fluorophenyl)boronic acid
InChI:
InChI=1S/C9H10BFO4/c1-2-15-9(12)6-4-3-5-7(8(6)11)10(13)14/h3-5,13-14H,2H2,1H3
InChI Key:
KFBWIVWAJRBVCJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1F)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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