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1353977-17-9 | 2-Chloro-N-ethyl-N-(3-nitro-benzyl)-acetamide
CAS No: 1353977-17-9 Catalog No: AG01FABL MDL No:
Product Description
Catalog Number:
AG01FABL
Chemical Name:
2-Chloro-N-ethyl-N-(3-nitro-benzyl)-acetamide
CAS Number:
1353977-17-9
Molecular Formula:
C11H13ClN2O3
Molecular Weight:
256.6855
IUPAC Name:
2-chloro-N-ethyl-N-[(3-nitrophenyl)methyl]acetamide
InChI:
InChI=1S/C11H13ClN2O3/c1-2-13(11(15)7-12)8-9-4-3-5-10(6-9)14(16)17/h3-6H,2,7-8H2,1H3
InChI Key:
DYYASEKEZREXGR-UHFFFAOYSA-N
SMILES:
CCN(C(=O)CCl)Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.686g/mol
Monoisotopic Mass:
256.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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