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Home > Bromides > 1417793-62-4
1417793-62-4 | 4-Piperidinol, 1-[[4-(bromomethyl)phenyl]sulfonyl]-
CAS No: 1417793-62-4 Catalog No: AG001H3T MDL No:MFCD21017028
Product Description
Catalog Number:
AG001H3T
Chemical Name:
4-Piperidinol, 1-[[4-(bromomethyl)phenyl]sulfonyl]-
CAS Number:
1417793-62-4
Molecular Formula:
C12H16BrNO3S
Molecular Weight:
334.2293
MDL Number:
MFCD21017028
IUPAC Name:
1-[4-(bromomethyl)phenyl]sulfonylpiperidin-4-ol
InChI:
InChI=1S/C12H16BrNO3S/c13-9-10-1-3-12(4-2-10)18(16,17)14-7-5-11(15)6-8-14/h1-4,11,15H,5-9H2
InChI Key:
MVHDACXGSQMFEM-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)S(=O)(=O)N1CCC(CC1)O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.003g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.228g/mol
Monoisotopic Mass:
333.003g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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