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Home > Boronic Acids > 2096334-75-5
2096334-75-5 | 3-(2,5-Dimethylphenylcarbamoyl)-4-fluorobenzeneboronic acid
CAS No: 2096334-75-5 Catalog No: AG019EQ4 MDL No:MFCD20040137
Product Description
Catalog Number:
AG019EQ4
Chemical Name:
3-(2,5-Dimethylphenylcarbamoyl)-4-fluorobenzeneboronic acid
CAS Number:
2096334-75-5
Molecular Formula:
C15H15BFNO3
Molecular Weight:
287.0939
MDL Number:
MFCD20040137
IUPAC Name:
[3-[(2,5-dimethylphenyl)carbamoyl]-4-fluorophenyl]boronic acid
InChI:
InChI=1S/C15H15BFNO3/c1-9-3-4-10(2)14(7-9)18-15(19)12-8-11(16(20)21)5-6-13(12)17/h3-8,20-21H,1-2H3,(H,18,19)
InChI Key:
ITTKZMHMESMYEV-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)NC(=O)c1cc(ccc1F)B(O)O)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.113g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
287.097g/mol
Monoisotopic Mass:
287.113g/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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