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Home > Boronic Acids > 1061223-45-7

1061223-45-7

1061223-45-7 | (4-Fluoro-2-(hydroxymethyl)phenyl)boronic acid

CAS No: 1061223-45-7 Catalog No: AG00388U MDL No:MFCD22205750

Product Description

Catalog Number:
AG00388U
Chemical Name:
(4-Fluoro-2-(hydroxymethyl)phenyl)boronic acid
CAS Number:
1061223-45-7
Molecular Formula:
C7H8BFO3
Molecular Weight:
169.9460
MDL Number:
MFCD22205750
IUPAC Name:
[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H8BFO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3,10-12H,4H2
InChI Key:
WDCNOFNVHZOFOW-UHFFFAOYSA-N
SMILES:
OCc1cc(F)ccc1B(O)O

Properties

Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.055g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
169.946g/mol
Monoisotopic Mass:
170.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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