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Home > Boronic Acids > 1217500-91-8
1217500-91-8 | Boronic acid, B-[4-[(3-methylbutyl)thio]phenyl]-
CAS No: 1217500-91-8 Catalog No: AG0015RW MDL No:MFCD12546538
Product Description
Catalog Number:
AG0015RW
Chemical Name:
Boronic acid, B-[4-[(3-methylbutyl)thio]phenyl]-
CAS Number:
1217500-91-8
Molecular Formula:
C11H17BO2S
Molecular Weight:
224.1275
MDL Number:
MFCD12546538
IUPAC Name:
[4-(3-methylbutylsulfanyl)phenyl]boronic acid
InChI:
InChI=1S/C11H17BO2S/c1-9(2)7-8-15-11-5-3-10(4-6-11)12(13)14/h3-6,9,13-14H,7-8H2,1-2H3
InChI Key:
YGCYBBGQZWWUBS-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)SCCC(C)C)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.125g/mol
Monoisotopic Mass:
224.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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