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Home > Nitro Compounds > 79798-95-1
79798-95-1 | 3(2H)-Thiazoleacetamide,2-[(2-methylbenzoyl)imino]-5-nitro-
CAS No: 79798-95-1 Catalog No: AG00505T MDL No:
Product Description
Catalog Number:
AG00505T
Chemical Name:
3(2H)-Thiazoleacetamide,2-[(2-methylbenzoyl)imino]-5-nitro-
CAS Number:
79798-95-1
Molecular Formula:
C13H12N4O4S
Molecular Weight:
320.3238
IUPAC Name:
N-[3-(2-amino-2-oxoethyl)-5-nitro-1,3-thiazol-2-ylidene]-2-methylbenzamide
InChI:
InChI=1S/C13H12N4O4S/c1-8-4-2-3-5-9(8)12(19)15-13-16(6-10(14)18)7-11(22-13)17(20)21/h2-5,7H,6H2,1H3,(H2,14,18)
InChI Key:
AIGLQRIURDEQJG-UHFFFAOYSA-N
SMILES:
NC(=O)Cn1cc(sc1=NC(=O)c1ccccc1C)[N+](=O)[O-]
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.058g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.323g/mol
Monoisotopic Mass:
320.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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