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Home > Boronic Acids > 1451392-52-1
1451392-52-1 | (3-chloro-5-(methylthio)phenyl)boronic acid
CAS No: 1451392-52-1 Catalog No: AG01DDYP MDL No:MFCD22628199
Product Description
Catalog Number:
AG01DDYP
Chemical Name:
(3-chloro-5-(methylthio)phenyl)boronic acid
CAS Number:
1451392-52-1
Molecular Formula:
C7H8BClO2S
Molecular Weight:
202.4662
MDL Number:
MFCD22628199
IUPAC Name:
(3-chloro-5-methylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C7H8BClO2S/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3
InChI Key:
GQYXPJXCFHHTIF-UHFFFAOYSA-N
SMILES:
CSc1cc(Cl)cc(c1)B(O)O
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.003g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.459g/mol
Monoisotopic Mass:
202.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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