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Home > Boronic Acids > 874289-12-0
874289-12-0 | (4-(Ethylcarbamoyl)-3-fluorophenyl)boronic acid
CAS No: 874289-12-0 Catalog No: AG004G4L MDL No:MFCD08436070
Product Description
Catalog Number:
AG004G4L
Chemical Name:
(4-(Ethylcarbamoyl)-3-fluorophenyl)boronic acid
CAS Number:
874289-12-0
Molecular Formula:
C9H11BFNO3
Molecular Weight:
210.9979
MDL Number:
MFCD08436070
IUPAC Name:
[4-(ethylcarbamoyl)-3-fluorophenyl]boronic acid
InChI:
InChI=1S/C9H11BFNO3/c1-2-12-9(13)7-4-3-6(10(14)15)5-8(7)11/h3-5,14-15H,2H2,1H3,(H,12,13)
InChI Key:
PCACUISZWVJQCI-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1ccc(cc1F)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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