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Home > Boronic Acids > 648906-27-8
648906-27-8 | 4-(Cyclopropylsulfonyl)phenylboronic acid pinacol ester
CAS No: 648906-27-8 Catalog No: AG00EKP5 MDL No:MFCD24448818
Product Description
Catalog Number:
AG00EKP5
Chemical Name:
4-(Cyclopropylsulfonyl)phenylboronic acid pinacol ester
CAS Number:
648906-27-8
Molecular Formula:
C15H21BO4S
Molecular Weight:
308.2008
MDL Number:
MFCD24448818
IUPAC Name:
2-(4-cyclopropylsulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C15H21BO4S/c1-14(2)15(3,4)20-16(19-14)11-5-7-12(8-6-11)21(17,18)13-9-10-13/h5-8,13H,9-10H2,1-4H3
InChI Key:
XSIXMQWYBMTLMS-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)S(=O)(=O)C1CC1
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.125g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.199g/mol
Monoisotopic Mass:
308.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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