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Home > Boronic Acids > 136321-96-5
136321-96-5 | Boronic acid, B-[4-(4-pentylcyclohexyl)phenyl]-
CAS No: 136321-96-5 Catalog No: AG0011N6 MDL No:MFCD09750938
Product Description
Catalog Number:
AG0011N6
Chemical Name:
Boronic acid, B-[4-(4-pentylcyclohexyl)phenyl]-
CAS Number:
136321-96-5
Molecular Formula:
C17H27BO2
Molecular Weight:
274.2061
MDL Number:
MFCD09750938
IUPAC Name:
[4-(4-pentylcyclohexyl)phenyl]boronic acid
InChI:
InChI=1S/C17H27BO2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h10-15,19-20H,2-9H2,1H3
InChI Key:
JFESOTHKCUMHGA-UHFFFAOYSA-N
SMILES:
CCCCCC1CCC(CC1)c1ccc(cc1)B(O)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.21g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.211g/mol
Monoisotopic Mass:
274.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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