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Home > Boronic Acids > 819861-92-2
819861-92-2 | Boronic acid, (7,8-difluoro-3,4-dihydro-2-propyl-2H-1-benzopyran-6-yl)-
CAS No: 819861-92-2 Catalog No: AG005G0L MDL No:
Product Description
Catalog Number:
AG005G0L
Chemical Name:
Boronic acid, (7,8-difluoro-3,4-dihydro-2-propyl-2H-1-benzopyran-6-yl)-
CAS Number:
819861-92-2
Molecular Formula:
C12H15BF2O3
Molecular Weight:
256.0535
IUPAC Name:
(7,8-difluoro-2-propyl-3,4-dihydro-2H-chromen-6-yl)boronic acid
InChI:
InChI=1S/C12H15BF2O3/c1-2-3-8-5-4-7-6-9(13(16)17)10(14)11(15)12(7)18-8/h6,8,16-17H,2-5H2,1H3
InChI Key:
LEGSKIUTDDOZTF-UHFFFAOYSA-N
SMILES:
CCCC1CCc2c(O1)c(F)c(c(c2)B(O)O)F
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.108g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.056g/mol
Monoisotopic Mass:
256.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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