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145872-59-9 | Ethanol, 2-[[(4-aminophenyl)methyl]sulfonyl]-
CAS No: 145872-59-9 Catalog No: AG001DH4 MDL No:
Product Description
Catalog Number:
AG001DH4
Chemical Name:
Ethanol, 2-[[(4-aminophenyl)methyl]sulfonyl]-
CAS Number:
145872-59-9
Molecular Formula:
C9H13NO3S
Molecular Weight:
215.2694
IUPAC Name:
2-[(4-aminophenyl)methylsulfonyl]ethanol
InChI:
InChI=1S/C9H13NO3S/c10-9-3-1-8(2-4-9)7-14(12,13)6-5-11/h1-4,11H,5-7,10H2
InChI Key:
HWMLEMOAAGCZRL-UHFFFAOYSA-N
SMILES:
OCCS(=O)(=O)Cc1ccc(cc1)N
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.267g/mol
Monoisotopic Mass:
215.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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