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Home > Boronic Acids > 1451392-38-3
1451392-38-3 | (3,5-difluoro-4-(methylthio)phenyl)boronic acid
CAS No: 1451392-38-3 Catalog No: AG01DDYW MDL No:MFCD22628219
Product Description
Catalog Number:
AG01DDYW
Chemical Name:
(3,5-difluoro-4-(methylthio)phenyl)boronic acid
CAS Number:
1451392-38-3
Molecular Formula:
C7H7BF2O2S
Molecular Weight:
204.0021
MDL Number:
MFCD22628219
IUPAC Name:
(3,5-difluoro-4-methylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C7H7BF2O2S/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,11-12H,1H3
InChI Key:
UBKQQWGTISJLIZ-UHFFFAOYSA-N
SMILES:
CSc1c(F)cc(cc1F)B(O)O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.998g/mol
Monoisotopic Mass:
204.023g/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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