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139261-28-2 | Ethanamine, 2-[(2-chloroethyl)sulfonyl]-
CAS No: 139261-28-2 Catalog No: AG001ALS MDL No:
Product Description
Catalog Number:
AG001ALS
Chemical Name:
Ethanamine, 2-[(2-chloroethyl)sulfonyl]-
CAS Number:
139261-28-2
Molecular Formula:
C4H10ClNO2S
Molecular Weight:
171.6457
IUPAC Name:
2-(2-chloroethylsulfonyl)ethanamine
InChI:
InChI=1S/C4H10ClNO2S/c5-1-3-9(7,8)4-2-6/h1-4,6H2
InChI Key:
HPKMXOWNGSBOME-UHFFFAOYSA-N
SMILES:
NCCS(=O)(=O)CCCl
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.012g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.639g/mol
Monoisotopic Mass:
171.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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