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159119-10-5

159119-10-5 | Boronic acid, B-[2-fluoro-4-(trans-4-propylcyclohexyl)phenyl]-

CAS No: 159119-10-5 Catalog No: AG001QHL MDL No:

Product Description

Catalog Number:
AG001QHL
Chemical Name:
Boronic acid, B-[2-fluoro-4-(trans-4-propylcyclohexyl)phenyl]-
CAS Number:
159119-10-5
Molecular Formula:
C15H22BFO2
Molecular Weight:
264.1434
IUPAC Name:
[2-fluoro-4-(4-propylcyclohexyl)phenyl]boronic acid
InChI:
InChI=1S/C15H22BFO2/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(16(18)19)15(17)10-13/h8-12,18-19H,2-7H2,1H3
InChI Key:
OZKQZVHMAGMWIN-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)c1ccc(c(c1)F)B(O)O
EC Number:
605-173-1

Properties

Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.17g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
264.147g/mol
Monoisotopic Mass:
264.17g/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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