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Home > Boronic Acids > 1333345-25-7
1333345-25-7 | {3-[(methylsulfanyl)methyl]phenyl}boronic acid
CAS No: 1333345-25-7 Catalog No: AG01A3QA MDL No:MFCD14687401
Product Description
Catalog Number:
AG01A3QA
Chemical Name:
{3-[(methylsulfanyl)methyl]phenyl}boronic acid
CAS Number:
1333345-25-7
Molecular Formula:
C8H11BO2S
Molecular Weight:
182.0477
MDL Number:
MFCD14687401
IUPAC Name:
[3-(methylsulfanylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H11BO2S/c1-12-6-7-3-2-4-8(5-7)9(10)11/h2-5,10-11H,6H2,1H3
InChI Key:
CMGUNBLXFYIALN-UHFFFAOYSA-N
SMILES:
CSCc1cccc(c1)B(O)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.057g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.044g/mol
Monoisotopic Mass:
182.057g/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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