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Home > Boronic Acids > 1107603-50-8
1107603-50-8 | 4-(Cyclohexylsulfanyl)phenylboronic acid
CAS No: 1107603-50-8 Catalog No: AG0083CY MDL No:MFCD08701753
Product Description
Catalog Number:
AG0083CY
Chemical Name:
4-(Cyclohexylsulfanyl)phenylboronic acid
CAS Number:
1107603-50-8
Molecular Formula:
C12H17BO2S
Molecular Weight:
236.1382
MDL Number:
MFCD08701753
IUPAC Name:
(4-cyclohexylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C12H17BO2S/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h6-9,11,14-15H,1-5H2
InChI Key:
ABHRFZSOTGVWFL-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)SC1CCCCC1)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.104g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.136g/mol
Monoisotopic Mass:
236.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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