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Home > Boronic Acids > 874289-59-5

874289-59-5

874289-59-5 | N-Methoxy-N-methyl 3-borono-4-fluorobenzamide

CAS No: 874289-59-5 Catalog No: AG004FYU MDL No:MFCD08436038

Product Description

Catalog Number:
AG004FYU
Chemical Name:
N-Methoxy-N-methyl 3-borono-4-fluorobenzamide
CAS Number:
874289-59-5
Molecular Formula:
C9H11BFNO4
Molecular Weight:
226.9973
MDL Number:
MFCD08436038
IUPAC Name:
[2-fluoro-5-[methoxy(methyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C9H11BFNO4/c1-12(16-2)9(13)6-3-4-8(11)7(5-6)10(14)15/h3-5,14-15H,1-2H3
InChI Key:
UIALQZJYMDELNI-UHFFFAOYSA-N
SMILES:
CON(C(=O)c1ccc(c(c1)B(O)O)F)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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