Home Nitros methyl 2-[(4-nitrophenyl)carbamoyl]acetate

methyl 2-[(4-nitrophenyl)carbamoyl]acetate

CAS No.:
328011-26-3
Catalog Number:
AG01BV9D
Molecular Formula:
C10H10N2O5
Molecular Weight:
238.1968
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Product Description
Catalog Number:
AG01BV9D
Chemical Name:
methyl 2-[(4-nitrophenyl)carbamoyl]acetate
CAS Number:
328011-26-3
Molecular Formula:
C10H10N2O5
Molecular Weight:
238.1968
MDL Number:
MFCD00740392
IUPAC Name:
methyl 3-(4-nitroanilino)-3-oxopropanoate
InChI:
InChI=1S/C10H10N2O5/c1-17-10(14)6-9(13)11-7-2-4-8(5-3-7)12(15)16/h2-5H,6H2,1H3,(H,11,13)
InChI Key:
NMGFQMDTGKOJGE-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
304  
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:
4  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties