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Home > Boronic Acids > 950691-39-1
950691-39-1 | Boronic acid, B-[5-(cyclohexylmethyl)-2-benzofuranyl]-
CAS No: 950691-39-1 Catalog No: AG01F84K MDL No:
Product Description
Catalog Number:
AG01F84K
Chemical Name:
Boronic acid, B-[5-(cyclohexylmethyl)-2-benzofuranyl]-
CAS Number:
950691-39-1
Molecular Formula:
C15H19BO3
Molecular Weight:
258.1206
IUPAC Name:
[5-(cyclohexylmethyl)-1-benzofuran-2-yl]boronic acid
InChI:
InChI=1S/C15H19BO3/c17-16(18)15-10-13-9-12(6-7-14(13)19-15)8-11-4-2-1-3-5-11/h6-7,9-11,17-18H,1-5,8H2
InChI Key:
NUUMBGKGBBKYKL-UHFFFAOYSA-N
SMILES:
OB(c1oc2c(c1)cc(cc2)CC1CCCCC1)O
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.143g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.124g/mol
Monoisotopic Mass:
258.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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