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Home > Boronic Acids > 146862-02-4
146862-02-4 | Boronic acid, [4-(trans-4-propylcyclohexyl)phenyl]-
CAS No: 146862-02-4 Catalog No: AG001EEQ MDL No:MFCD06658197
Product Description
Catalog Number:
AG001EEQ
Chemical Name:
Boronic acid, [4-(trans-4-propylcyclohexyl)phenyl]-
CAS Number:
146862-02-4
Molecular Formula:
C15H23BO2
Molecular Weight:
246.1529
MDL Number:
MFCD06658197
IUPAC Name:
[4-(4-propylcyclohexyl)phenyl]boronic acid
InChI:
InChI=1S/C15H23BO2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h8-13,17-18H,2-7H2,1H3
InChI Key:
QTBUVZSHCNAPRT-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)B(O)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.179g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.157g/mol
Monoisotopic Mass:
246.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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