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Home > Boronic Acids > 486422-11-1
486422-11-1 | Boronic acid, [4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-
CAS No: 486422-11-1 Catalog No: AG00I8SP MDL No:MFCD12031677
Product Description
Catalog Number:
AG00I8SP
Chemical Name:
Boronic acid, [4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-
CAS Number:
486422-11-1
Molecular Formula:
C11H17BN2O4S
Molecular Weight:
284.1397
MDL Number:
MFCD12031677
IUPAC Name:
[4-(4-methylpiperazin-1-yl)sulfonylphenyl]boronic acid
InChI:
InChI=1S/C11H17BN2O4S/c1-13-6-8-14(9-7-13)19(17,18)11-4-2-10(3-5-11)12(15)16/h2-5,15-16H,6-9H2,1H3
InChI Key:
WTIRVOVQNGLJIQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C)O
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.137g/mol
Monoisotopic Mass:
284.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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