Home Sulfos {4-fluoro-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}methanol

{4-fluoro-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}methanol

CAS No.:
1497773-50-8
Catalog Number:
AG01BV4Y
Molecular Formula:
C13H18FNO3S
Molecular Weight:
287.3503
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Product Description
Catalog Number:
AG01BV4Y
Chemical Name:
{4-fluoro-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}methanol
CAS Number:
1497773-50-8
Molecular Formula:
C13H18FNO3S
Molecular Weight:
287.3503
MDL Number:
MFCD20851209
IUPAC Name:
[4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanol
InChI:
InChI=1S/C13H18FNO3S/c1-10-4-6-15(7-5-10)19(17,18)13-8-11(9-16)2-3-12(13)14/h2-3,8,10,16H,4-7,9H2,1H3
InChI Key:
IYPHGSDFYPBZSL-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)S(=O)(=O)N1CCC(CC1)C)F
Properties
Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.099g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
287.349g/mol
Monoisotopic Mass:
287.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties