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Home > Boronic Acids > 1082066-52-1
1082066-52-1 | (3-Fluoro-4-(hydroxymethyl);phenyl);boronic acid
CAS No: 1082066-52-1 Catalog No: AG007V5J MDL No:MFCD13181609
Product Description
Catalog Number:
AG007V5J
Chemical Name:
(3-Fluoro-4-(hydroxymethyl);phenyl);boronic acid
CAS Number:
1082066-52-1
Molecular Formula:
C7H8BFO3
Molecular Weight:
169.9460
MDL Number:
MFCD13181609
IUPAC Name:
[3-fluoro-4-(hydroxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H8BFO3/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-3,10-12H,4H2
InChI Key:
ZAGFMKDDCAZZOI-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1F)B(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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