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113847-08-8 | Acetamide, 2-chloro-N-[2-(4-nitrophenyl)ethyl]-
CAS No: 113847-08-8 Catalog No: AG0009WL MDL No:
Product Description
Catalog Number:
AG0009WL
Chemical Name:
Acetamide, 2-chloro-N-[2-(4-nitrophenyl)ethyl]-
CAS Number:
113847-08-8
Molecular Formula:
C10H11ClN2O3
Molecular Weight:
242.6589
IUPAC Name:
2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
InChI:
InChI=1S/C10H11ClN2O3/c11-7-10(14)12-6-5-8-1-3-9(4-2-8)13(15)16/h1-4H,5-7H2,(H,12,14)
InChI Key:
PNOUKMQSZZNBJK-UHFFFAOYSA-N
SMILES:
ClCC(=O)NCCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.659g/mol
Monoisotopic Mass:
242.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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