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Home Boronic acids 4-(4-Methylpiperidin-1-ylsulfonyl)phenylboronic acid

4-(4-Methylpiperidin-1-ylsulfonyl)phenylboronic acid

CAS No.:
1449132-62-0
Catalog Number:
AG00ARNV
Molecular Formula:
C12H18BNO4S
Molecular Weight:
283.1516
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Product Description
Catalog Number:
AG00ARNV
Chemical Name:
4-(4-Methylpiperidin-1-ylsulfonyl)phenylboronic acid
CAS Number:
1449132-62-0
Molecular Formula:
C12H18BNO4S
Molecular Weight:
283.1516
MDL Number:
MFCD20265284
IUPAC Name:
[4-(4-methylpiperidin-1-yl)sulfonylphenyl]boronic acid
InChI:
InChI=1S/C12H18BNO4S/c1-10-6-8-14(9-7-10)19(17,18)12-4-2-11(3-5-12)13(15)16/h2-5,10,15-16H,6-9H2,1H3
InChI Key:
ARVNTVVSGLEIAQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C)O
Properties
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.105g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
283.149g/mol
Monoisotopic Mass:
283.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties