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Home > Boronic Acids > 913835-59-3
913835-59-3 | 3-FLUORO-4-[(N-METHOXY-N-METHYL)CARBAMOYL]BENZENEBORONIC ACID 98
CAS No: 913835-59-3 Catalog No: AG00GTCS MDL No:MFCD08689477
Product Description
Catalog Number:
AG00GTCS
Chemical Name:
3-FLUORO-4-[(N-METHOXY-N-METHYL)CARBAMOYL]BENZENEBORONIC ACID 98
CAS Number:
913835-59-3
Molecular Formula:
C9H11BFNO4
Molecular Weight:
226.9973
MDL Number:
MFCD08689477
IUPAC Name:
[3-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C9H11BFNO4/c1-12(16-2)9(13)7-4-3-6(10(14)15)5-8(7)11/h3-5,14-15H,1-2H3
InChI Key:
QPQWMXDTOWMILI-UHFFFAOYSA-N
SMILES:
CON(C(=O)c1ccc(cc1F)B(O)O)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.998g/mol
Monoisotopic Mass:
227.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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