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1000342-63-1 | Acetamide, N-[5-chloro-2-(hydroxymethyl)-3-nitrophenyl]-
CAS No: 1000342-63-1 Catalog No: AG0000J8 MDL No:
Product Description
Catalog Number:
AG0000J8
Chemical Name:
Acetamide, N-[5-chloro-2-(hydroxymethyl)-3-nitrophenyl]-
CAS Number:
1000342-63-1
Molecular Formula:
C9H9ClN2O4
Molecular Weight:
244.6318
IUPAC Name:
N-[5-chloro-2-(hydroxymethyl)-3-nitrophenyl]acetamide
InChI:
InChI=1S/C9H9ClN2O4/c1-5(14)11-8-2-6(10)3-9(12(15)16)7(8)4-13/h2-3,13H,4H2,1H3,(H,11,14)
InChI Key:
DQZBXYQYLBQSDK-UHFFFAOYSA-N
SMILES:
OCc1c(NC(=O)C)cc(cc1[N+](=O)[O-])Cl
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.631g/mol
Monoisotopic Mass:
244.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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