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Home > Boronic Acids > 958452-26-1
958452-26-1 | (2-(3-Fluoropropoxy)phenyl)boronic acid
CAS No: 958452-26-1 Catalog No: AG00IJH6 MDL No:
Product Description
Catalog Number:
AG00IJH6
Chemical Name:
(2-(3-Fluoropropoxy)phenyl)boronic acid
CAS Number:
958452-26-1
Molecular Formula:
C9H12BFO3
Molecular Weight:
197.9992
IUPAC Name:
[2-(3-fluoropropoxy)phenyl]boronic acid
InChI:
InChI=1S/C9H12BFO3/c11-6-3-7-14-9-5-2-1-4-8(9)10(12)13/h1-2,4-5,12-13H,3,6-7H2
InChI Key:
YSTHFPLODUPIGB-UHFFFAOYSA-N
SMILES:
FCCCOc1ccccc1B(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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