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Home > Boronic Acids > 874219-37-1
874219-37-1 | (3-Fluoro-5-(propylcarbamoyl)phenyl)boronic acid
CAS No: 874219-37-1 Catalog No: AG004J9N MDL No:MFCD08235054
Product Description
Catalog Number:
AG004J9N
Chemical Name:
(3-Fluoro-5-(propylcarbamoyl)phenyl)boronic acid
CAS Number:
874219-37-1
Molecular Formula:
C10H13BFNO3
Molecular Weight:
225.0245
MDL Number:
MFCD08235054
IUPAC Name:
[3-fluoro-5-(propylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BFNO3/c1-2-3-13-10(14)7-4-8(11(15)16)6-9(12)5-7/h4-6,15-16H,2-3H2,1H3,(H,13,14)
InChI Key:
OCNHZZPUTQZYID-UHFFFAOYSA-N
SMILES:
CCCNC(=O)c1cc(F)cc(c1)B(O)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.097g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.026g/mol
Monoisotopic Mass:
225.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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