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Home > Boronic Acids > 958454-12-1
958454-12-1 | 2-FLUORO-5-(METHYLTHIOMETHOXY)PHENYLBORONIC ACID
CAS No: 958454-12-1 Catalog No: AG00H7B2 MDL No:
Product Description
Catalog Number:
AG00H7B2
Chemical Name:
2-FLUORO-5-(METHYLTHIOMETHOXY)PHENYLBORONIC ACID
CAS Number:
958454-12-1
Molecular Formula:
C8H10BFO3S
Molecular Weight:
216.0376
IUPAC Name:
[2-fluoro-5-(methylsulfanylmethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H10BFO3S/c1-14-5-13-6-2-3-8(10)7(4-6)9(11)12/h2-4,11-12H,5H2,1H3
InChI Key:
ZYLHEWRIQHQGKP-UHFFFAOYSA-N
SMILES:
CSCOc1ccc(c(c1)B(O)O)F
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.033g/mol
Monoisotopic Mass:
216.043g/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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