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158692-80-9 | 2-Chloro-N-ethyl-N-(2-iodo-benzyl)-acetamide
CAS No: 158692-80-9 Catalog No: AG01FAQS MDL No:
Product Description
Catalog Number:
AG01FAQS
Chemical Name:
2-Chloro-N-ethyl-N-(2-iodo-benzyl)-acetamide
CAS Number:
158692-80-9
Molecular Formula:
C11H13ClINO
Molecular Weight:
337.5845
IUPAC Name:
2-chloro-N-ethyl-N-[(2-iodophenyl)methyl]acetamide
InChI:
InChI=1S/C11H13ClINO/c1-2-14(11(15)7-12)8-9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3
InChI Key:
SUXGCLJIEOLCIW-UHFFFAOYSA-N
SMILES:
CCN(C(=O)CCl)Cc1ccccc1I
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.973g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.585g/mol
Monoisotopic Mass:
336.973g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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