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5409-45-0 | Methyl 2-acetamido-5-nitrobenzoate
CAS No: 5409-45-0 Catalog No: AG003RM6 MDL No:MFCD00157624
Product Description
Catalog Number:
AG003RM6
Chemical Name:
Methyl 2-acetamido-5-nitrobenzoate
CAS Number:
5409-45-0
Molecular Formula:
C10H10N2O5
Molecular Weight:
238.1968
MDL Number:
MFCD00157624
IUPAC Name:
methyl 2-acetamido-5-nitrobenzoate
InChI:
InChI=1S/C10H10N2O5/c1-6(13)11-9-4-3-7(12(15)16)5-8(9)10(14)17-2/h3-5H,1-2H3,(H,11,13)
InChI Key:
HAKPLTBAUCAFMV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1NC(=O)C)[N+](=O)[O-]
NSC Number:
12468
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.199g/mol
Monoisotopic Mass:
238.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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