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Home > Boronic Acids > 1217501-04-6
1217501-04-6 | Boronic acid, B-[4-[(cyclopropylmethyl)sulfinyl]phenyl]-
CAS No: 1217501-04-6 Catalog No: AG0015RK MDL No:MFCD12546551
Product Description
Catalog Number:
AG0015RK
Chemical Name:
Boronic acid, B-[4-[(cyclopropylmethyl)sulfinyl]phenyl]-
CAS Number:
1217501-04-6
Molecular Formula:
C10H13BO3S
Molecular Weight:
224.0844
MDL Number:
MFCD12546551
IUPAC Name:
[4-(cyclopropylmethylsulfinyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BO3S/c12-11(13)9-3-5-10(6-4-9)15(14)7-8-1-2-8/h3-6,8,12-13H,1-2,7H2
InChI Key:
LVSXKKKBVXTPSI-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)CC1CC1)O
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.081g/mol
Monoisotopic Mass:
224.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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