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Home > Boronic Acids > 163006-96-0
163006-96-0 | Boronic acid, [2-fluoro-4-(trans-4-pentylcyclohexyl)phenyl]-
CAS No: 163006-96-0 Catalog No: AG001TLN MDL No:MFCD20040534
Product Description
Catalog Number:
AG001TLN
Chemical Name:
Boronic acid, [2-fluoro-4-(trans-4-pentylcyclohexyl)phenyl]-
CAS Number:
163006-96-0
Molecular Formula:
C17H26BFO2
Molecular Weight:
292.1965
MDL Number:
MFCD20040534
IUPAC Name:
[4-[(3S,4S)-3-fluoro-4-pentylcyclohexyl]phenyl]boronic acid
InChI:
InChI=1S/C17H26BFO2/c1-2-3-4-5-14-6-7-15(12-17(14)19)13-8-10-16(11-9-13)18(20)21/h8-11,14-15,17,20-21H,2-7,12H2,1H3/t14-,15?,17-/m0/s1
InChI Key:
VCEGVLTZIQBLBQ-AYWPPYMVSA-N
SMILES:
CCCCC[C@@H]1CC[C@H](CC1)c1ccc(c(c1)F)B(O)O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
292.201g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.201g/mol
Monoisotopic Mass:
292.201g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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