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131110-20-8 | 1-Hexanol, 6-[(4-aminophenyl)sulfonyl]-
CAS No: 131110-20-8 Catalog No: AG000VJP MDL No:
Product Description
Catalog Number:
AG000VJP
Chemical Name:
1-Hexanol, 6-[(4-aminophenyl)sulfonyl]-
CAS Number:
131110-20-8
Molecular Formula:
C12H19NO3S
Molecular Weight:
257.3492
IUPAC Name:
6-(4-aminophenyl)sulfonylhexan-1-ol
InChI:
InChI=1S/C12H19NO3S/c13-11-5-7-12(8-6-11)17(15,16)10-4-2-1-3-9-14/h5-8,14H,1-4,9-10,13H2
InChI Key:
BXZMJZRUPDRVFD-UHFFFAOYSA-N
SMILES:
OCCCCCCS(=O)(=O)c1ccc(cc1)N
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.109g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.348g/mol
Monoisotopic Mass:
257.109g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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