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Home > Boronic Acids > 874219-20-2
874219-20-2 | (3-(Ethylcarbamoyl);-4-fluorophenyl);boronic acid
CAS No: 874219-20-2 Catalog No: AG004MY5 MDL No:MFCD08235039
Product Description
Catalog Number:
AG004MY5
Chemical Name:
(3-(Ethylcarbamoyl);-4-fluorophenyl);boronic acid
CAS Number:
874219-20-2
Molecular Formula:
C9H11BFNO3
Molecular Weight:
210.9979
MDL Number:
MFCD08235039
IUPAC Name:
[3-(ethylcarbamoyl)-4-fluorophenyl]boronic acid
InChI:
InChI=1S/C9H11BFNO3/c1-2-12-9(13)7-5-6(10(14)15)3-4-8(7)11/h3-5,14-15H,2H2,1H3,(H,12,13)
InChI Key:
BAEYNRHYQQRDHO-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1cc(ccc1F)B(O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.999g/mol
Monoisotopic Mass:
211.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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