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Home > Boronic Acids > 871329-85-0
871329-85-0 | (3-(Ethoxycarbonyl);-5-fluorophenyl);boronic acid
CAS No: 871329-85-0 Catalog No: AG004KM9 MDL No:MFCD07363792
Product Description
Catalog Number:
AG004KM9
Chemical Name:
(3-(Ethoxycarbonyl);-5-fluorophenyl);boronic acid
CAS Number:
871329-85-0
Molecular Formula:
C9H10BFO4
Molecular Weight:
211.9827
MDL Number:
MFCD07363792
IUPAC Name:
(3-ethoxycarbonyl-5-fluorophenyl)boronic acid
InChI:
InChI=1S/C9H10BFO4/c1-2-15-9(12)6-3-7(10(13)14)5-8(11)4-6/h3-5,13-14H,2H2,1H3
InChI Key:
HJLWJMNBGUVWFR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(F)cc(c1)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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