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Home > Boronic Acids > 1072952-17-0
1072952-17-0 | 4-(METHOXYMETHYLTHIO)PHENYLBORONIC ACID
CAS No: 1072952-17-0 Catalog No: AG0084WD MDL No:
Product Description
Catalog Number:
AG0084WD
Chemical Name:
4-(METHOXYMETHYLTHIO)PHENYLBORONIC ACID
CAS Number:
1072952-17-0
Molecular Formula:
C8H11BO3S
Molecular Weight:
198.0471
IUPAC Name:
[4-(methoxymethylsulfanyl)phenyl]boronic acid
InChI:
InChI=1S/C8H11BO3S/c1-12-6-13-8-4-2-7(3-5-8)9(10)11/h2-5,10-11H,6H2,1H3
InChI Key:
VWZLCFRKACUMDI-UHFFFAOYSA-N
SMILES:
COCSc1ccc(cc1)B(O)O
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.043g/mol
Monoisotopic Mass:
198.052g/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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