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Home > Boronic Acids > 1334684-23-9
1334684-23-9 | {2-methoxy-5-[(methylsulfanyl)methyl]phenyl}boronic acid
CAS No: 1334684-23-9 Catalog No: AG01AICB MDL No:MFCD14687399
Product Description
Catalog Number:
AG01AICB
Chemical Name:
{2-methoxy-5-[(methylsulfanyl)methyl]phenyl}boronic acid
CAS Number:
1334684-23-9
Molecular Formula:
C9H13BO3S
Molecular Weight:
212.0737
MDL Number:
MFCD14687399
IUPAC Name:
[2-methoxy-5-(methylsulfanylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H13BO3S/c1-13-9-4-3-7(6-14-2)5-8(9)10(11)12/h3-5,11-12H,6H2,1-2H3
InChI Key:
QPIGKHKCFPRYKY-UHFFFAOYSA-N
SMILES:
CSCc1ccc(c(c1)B(O)O)OC
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.07g/mol
Monoisotopic Mass:
212.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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