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Home > Boronic Acids > 915402-01-6
915402-01-6 | 3-(3-FLUOROPROPYLOXY)-BENZENEBORONIC ACID
CAS No: 915402-01-6 Catalog No: AG006L6I MDL No:MFCD08706283
Product Description
Catalog Number:
AG006L6I
Chemical Name:
3-(3-FLUOROPROPYLOXY)-BENZENEBORONIC ACID
CAS Number:
915402-01-6
Molecular Formula:
C9H12BFO3
Molecular Weight:
197.9992
MDL Number:
MFCD08706283
IUPAC Name:
[3-(3-fluoropropoxy)phenyl]boronic acid
InChI:
InChI=1S/C9H12BFO3/c11-5-2-6-14-9-4-1-3-8(7-9)10(12)13/h1,3-4,7,12-13H,2,5-6H2
InChI Key:
XWYJXAFWBGCCBK-UHFFFAOYSA-N
SMILES:
FCCCOc1cccc(c1)B(O)O
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198g/mol
Monoisotopic Mass:
198.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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