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Home > Boronic Acids > 1339892-52-2
1339892-52-2 | 1-(2-(Methylsulfonyl)ethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 1339892-52-2 Catalog No: AG00HT4C MDL No:MFCD21337761
Product Description
Catalog Number:
AG00HT4C
Chemical Name:
1-(2-(Methylsulfonyl)ethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
1339892-52-2
Molecular Formula:
C12H21BN2O4S
Molecular Weight:
300.1821
MDL Number:
MFCD21337761
IUPAC Name:
1-(2-methylsulfonylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C12H21BN2O4S/c1-11(2)12(3,4)19-13(18-11)10-8-14-15(9-10)6-7-20(5,16)17/h8-9H,6-7H2,1-5H3
InChI Key:
CZIIOTXDMLWWHB-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)CCn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.18g/mol
Monoisotopic Mass:
300.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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