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Home > Boronic Acids > 1112208-82-8
1112208-82-8 | 2-Fluoro-5-formylphenylboronic acid pinacol ester
CAS No: 1112208-82-8 Catalog No: AG003HA4 MDL No:MFCD11867877
Product Description
Catalog Number:
AG003HA4
Chemical Name:
2-Fluoro-5-formylphenylboronic acid pinacol ester
CAS Number:
1112208-82-8
Molecular Formula:
C13H16BFO3
Molecular Weight:
250.0737
MDL Number:
MFCD11867877
IUPAC Name:
4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
InChI:
InChI=1S/C13H16BFO3/c1-12(2)13(3,4)18-14(17-12)10-7-9(8-16)5-6-11(10)15/h5-8H,1-4H3
InChI Key:
WHYMLQVABFAGEK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)F
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.076g/mol
Monoisotopic Mass:
250.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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