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Home > Boronic Acids > 1005206-27-8
1005206-27-8 | 4-(Methylsulfanyl)-3-(trifluoromethoxy)phenylboronic acid
CAS No: 1005206-27-8 Catalog No: AG00H990 MDL No:MFCD22549311
Product Description
Catalog Number:
AG00H990
Chemical Name:
4-(Methylsulfanyl)-3-(trifluoromethoxy)phenylboronic acid
CAS Number:
1005206-27-8
MDL Number:
MFCD22549311
IUPAC Name:
[4-methylsulfanyl-3-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O3S/c1-16-7-3-2-5(9(13)14)4-6(7)15-8(10,11)12/h2-4,13-14H,1H3
InChI Key:
KZMPCESUPRQUAO-UHFFFAOYSA-N
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.024g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.014g/mol
Monoisotopic Mass:
252.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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