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Home > Boronic Acids > 1217501-06-8
1217501-06-8 | Boronic acid, B-[4-(cyclopropylsulfinyl)phenyl]-
CAS No: 1217501-06-8 Catalog No: AG0015RI MDL No:MFCD12546568
Product Description
Catalog Number:
AG0015RI
Chemical Name:
Boronic acid, B-[4-(cyclopropylsulfinyl)phenyl]-
CAS Number:
1217501-06-8
Molecular Formula:
C9H11BO3S
Molecular Weight:
210.0578
MDL Number:
MFCD12546568
IUPAC Name:
(4-cyclopropylsulfinylphenyl)boronic acid
InChI:
InChI=1S/C9H11BO3S/c11-10(12)7-1-3-8(4-2-7)14(13)9-5-6-9/h1-4,9,11-12H,5-6H2
InChI Key:
UVAFNQYMJVLTNA-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)C1CC1)O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.052g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.054g/mol
Monoisotopic Mass:
210.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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