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1199589-55-3 | "2-chloro-N-(5-(3-nitrophenyl)-1,2,4-thiadiazol-3-yl)acetamide"
CAS No: 1199589-55-3 Catalog No: AG01FMY3 MDL No:MFCD14584878
Product Description
Catalog Number:
AG01FMY3
Chemical Name:
"2-chloro-N-(5-(3-nitrophenyl)-1,2,4-thiadiazol-3-yl)acetamide"
CAS Number:
1199589-55-3
Molecular Formula:
C10H7ClN4O3S
Molecular Weight:
298.7056
MDL Number:
MFCD14584878
IUPAC Name:
2-chloro-N-[5-(3-nitrophenyl)-1,2,4-thiadiazol-3-yl]acetamide
InChI:
InChI=1S/C10H7ClN4O3S/c11-5-8(16)12-10-13-9(19-14-10)6-2-1-3-7(4-6)15(17)18/h1-4H,5H2,(H,12,14,16)
InChI Key:
OUFQDKYMCYRDHJ-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1nsc(n1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.993g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.701g/mol
Monoisotopic Mass:
297.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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