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Home > Boronic Acids > 1256358-79-8
1256358-79-8 | Boronic acid, B-[3-fluoro-4-[(2-thienylmethoxy)methyl]phenyl]-
CAS No: 1256358-79-8 Catalog No: AG000O6M MDL No:
Product Description
Catalog Number:
AG000O6M
Chemical Name:
Boronic acid, B-[3-fluoro-4-[(2-thienylmethoxy)methyl]phenyl]-
CAS Number:
1256358-79-8
Molecular Formula:
C12H12BFO3S
Molecular Weight:
266.0963
IUPAC Name:
[3-fluoro-4-(thiophen-2-ylmethoxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C12H12BFO3S/c14-12-6-10(13(15)16)4-3-9(12)7-17-8-11-2-1-5-18-11/h1-6,15-16H,7-8H2
InChI Key:
NDGQEZWBWVUOHS-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1COCc1cccs1)B(O)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.093g/mol
Monoisotopic Mass:
266.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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