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Home > Boronic Acids > 1176093-78-9
1176093-78-9 | 3-(1,1-Dioxido-2-isothiazolidinyl)phenylboronic acid
CAS No: 1176093-78-9 Catalog No: AG00HE0K MDL No:MFCD22573107
Product Description
Catalog Number:
AG00HE0K
Chemical Name:
3-(1,1-Dioxido-2-isothiazolidinyl)phenylboronic acid
CAS Number:
1176093-78-9
Molecular Formula:
C9H12BNO4S
Molecular Weight:
241.0719
MDL Number:
MFCD22573107
IUPAC Name:
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]boronic acid
InChI:
InChI=1S/C9H12BNO4S/c12-10(13)8-3-1-4-9(7-8)11-5-2-6-16(11,14)15/h1,3-4,7,12-13H,2,5-6H2
InChI Key:
RWHVZNQSDFKSQQ-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)N1CCCS1(=O)=O)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.068g/mol
Monoisotopic Mass:
241.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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