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Home > Boronic Acids > 1005207-32-8
1005207-32-8 | Boronic acid, B-[4-[(phenylmethyl)thio]phenyl]-
CAS No: 1005207-32-8 Catalog No: AG00028U MDL No:MFCD06801692
Product Description
Catalog Number:
AG00028U
Chemical Name:
Boronic acid, B-[4-[(phenylmethyl)thio]phenyl]-
CAS Number:
1005207-32-8
Molecular Formula:
C13H13BO2S
Molecular Weight:
244.1171
MDL Number:
MFCD06801692
IUPAC Name:
(4-benzylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C13H13BO2S/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,15-16H,10H2
InChI Key:
ALXFJPATEOZQPF-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)SCc1ccccc1)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.115g/mol
Monoisotopic Mass:
244.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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