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Home > Boronic Acids > 164220-57-9
164220-57-9 | Boronic acid, B-[4-(trans-4-ethylcyclohexyl)phenyl]-
CAS No: 164220-57-9 Catalog No: AG001UPB MDL No:MFCD12546553
Product Description
Catalog Number:
AG001UPB
Chemical Name:
Boronic acid, B-[4-(trans-4-ethylcyclohexyl)phenyl]-
CAS Number:
164220-57-9
Molecular Formula:
C14H21BO2
Molecular Weight:
232.1263
MDL Number:
MFCD12546553
IUPAC Name:
[4-(4-ethylcyclohexyl)phenyl]boronic acid
InChI:
InChI=1S/C14H21BO2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h7-12,16-17H,2-6H2,1H3
InChI Key:
QRCCELWUDZLZLP-UHFFFAOYSA-N
SMILES:
CC[C@@H]1CC[C@H](CC1)c1ccc(cc1)B(O)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.13g/mol
Monoisotopic Mass:
232.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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