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79944-30-2 | Carbamic acid, (2-amino-2-oxoethyl)-, (4-nitrophenyl)methyl ester
CAS No: 79944-30-2 Catalog No: AG005EXJ MDL No:
Product Description
Catalog Number:
AG005EXJ
Chemical Name:
Carbamic acid, (2-amino-2-oxoethyl)-, (4-nitrophenyl)methyl ester
CAS Number:
79944-30-2
Molecular Formula:
C10H11N3O5
Molecular Weight:
253.2114
IUPAC Name:
(4-nitrophenyl)methyl N-(2-amino-2-oxoethyl)carbamate
InChI:
InChI=1S/C10H11N3O5/c11-9(14)5-12-10(15)18-6-7-1-3-8(4-2-7)13(16)17/h1-4H,5-6H2,(H2,11,14)(H,12,15)
InChI Key:
STLFJFICSMFSAL-UHFFFAOYSA-N
SMILES:
NC(=O)CNC(=O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.214g/mol
Monoisotopic Mass:
253.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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