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Home > Boronic Acids > 874289-30-2
874289-30-2 | (4-(Dimethylcarbamoyl);-2-fluorophenyl);boronic acid
CAS No: 874289-30-2 Catalog No: AG004FYY MDL No:MFCD11855833
Product Description
Catalog Number:
AG004FYY
Chemical Name:
(4-(Dimethylcarbamoyl);-2-fluorophenyl);boronic acid
CAS Number:
874289-30-2
Molecular Formula:
C9H11BFNO3
Molecular Weight:
210.9979
MDL Number:
MFCD11855833
IUPAC Name:
[4-(dimethylcarbamoyl)-2-fluorophenyl]boronic acid
InChI:
InChI=1S/C9H11BFNO3/c1-12(2)9(13)6-3-4-7(10(14)15)8(11)5-6/h3-5,14-15H,1-2H3
InChI Key:
IOTCMPCBVDPZTB-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1ccc(c(c1)F)B(O)O)C
Properties
Complexity:
237
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:
2
Isotope Atom Count:
0
Molecular Weight:
210.999g/mol
Monoisotopic Mass:
211.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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