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Home > Boronic Acids > 1175560-85-6
1175560-85-6 | (4-((Cyclopropylmethyl);sulfonyl);phenyl);boronic acid
CAS No: 1175560-85-6 Catalog No: AG007QXB MDL No:MFCD12546552
Product Description
Catalog Number:
AG007QXB
Chemical Name:
(4-((Cyclopropylmethyl);sulfonyl);phenyl);boronic acid
CAS Number:
1175560-85-6
Molecular Formula:
C10H13BO4S
Molecular Weight:
240.0838
MDL Number:
MFCD12546552
IUPAC Name:
[4-(cyclopropylmethylsulfonyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BO4S/c12-11(13)9-3-5-10(6-4-9)16(14,15)7-8-1-2-8/h3-6,8,12-13H,1-2,7H2
InChI Key:
DZBUTJPNUVQODY-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)CC1CC1)O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.08g/mol
Monoisotopic Mass:
240.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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