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Home > Boronic Acids > 958451-96-2
958451-96-2 | 4-(2-FLUORO-ETHYLSULFANYL)-BENZENEBORONIC ACID
CAS No: 958451-96-2 Catalog No: AG00H7B4 MDL No:
Product Description
Catalog Number:
AG00H7B4
Chemical Name:
4-(2-FLUORO-ETHYLSULFANYL)-BENZENEBORONIC ACID
CAS Number:
958451-96-2
Molecular Formula:
C8H10BFO2S
Molecular Weight:
200.0382
IUPAC Name:
[4-(2-fluoroethylsulfanyl)phenyl]boronic acid
InChI:
InChI=1S/C8H10BFO2S/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,11-12H,5-6H2
InChI Key:
NGQNTMDWZJCFIU-UHFFFAOYSA-N
SMILES:
FCCSc1ccc(cc1)B(O)O
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.034g/mol
Monoisotopic Mass:
200.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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