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20570-07-4 | Benzeneethanamine, β-chloro-N-(2-chloro-2-phenylethyl)-N-(sulfinylamino)-
CAS No: 20570-07-4 Catalog No: AG002AAJ MDL No:
Product Description
Catalog Number:
AG002AAJ
Chemical Name:
Benzeneethanamine, β-chloro-N-(2-chloro-2-phenylethyl)-N-(sulfinylamino)-
CAS Number:
20570-07-4
Molecular Formula:
C16H16Cl2N2OS
Molecular Weight:
355.2820
IUPAC Name:
2-chloro-N-(2-chloro-2-phenylethyl)-2-phenyl-N-(sulfinylamino)ethanamine
InChI:
InChI=1S/C16H16Cl2N2OS/c17-15(13-7-3-1-4-8-13)11-20(19-22-21)12-16(18)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChI Key:
CQMGHQNVBZBCLA-UHFFFAOYSA-N
SMILES:
ClC(c1ccccc1)CN(N=S=O)CC(c1ccccc1)Cl
NSC Number:
93127
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.036g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.277g/mol
Monoisotopic Mass:
354.036g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
33.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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