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Home > Boronic Acids > 1256354-92-3
1256354-92-3 | Boronic acid, B-[2-fluoro-5-(1-methylethyl)phenyl]-
CAS No: 1256354-92-3 Catalog No: AG000O32 MDL No:MFCD17015760
Product Description
Catalog Number:
AG000O32
Chemical Name:
Boronic acid, B-[2-fluoro-5-(1-methylethyl)phenyl]-
CAS Number:
1256354-92-3
Molecular Formula:
C9H12BFO2
Molecular Weight:
181.9998
MDL Number:
MFCD17015760
IUPAC Name:
(2-fluoro-5-propan-2-ylphenyl)boronic acid
InChI:
InChI=1S/C9H12BFO2/c1-6(2)7-3-4-9(11)8(5-7)10(12)13/h3-6,12-13H,1-2H3
InChI Key:
YXCUUQOHGRSVQC-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)B(O)O)F)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.091g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.001g/mol
Monoisotopic Mass:
182.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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