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13852-50-1 | Acetamide, N-(5-chloro-2-methyl-4-nitrophenyl)-
CAS No: 13852-50-1 Catalog No: AG0019D3 MDL No:
Product Description
Catalog Number:
AG0019D3
Chemical Name:
Acetamide, N-(5-chloro-2-methyl-4-nitrophenyl)-
CAS Number:
13852-50-1
Molecular Formula:
C9H9ClN2O3
Molecular Weight:
228.6324
IUPAC Name:
N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
InChI:
InChI=1S/C9H9ClN2O3/c1-5-3-9(12(14)15)7(10)4-8(5)11-6(2)13/h3-4H,1-2H3,(H,11,13)
InChI Key:
URLGXKCNSXNVOM-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(Cl)c(cc1C)[N+](=O)[O-]
NSC Number:
201432
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.632g/mol
Monoisotopic Mass:
228.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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