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113808-40-5 | Acetamide, 2-chloro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-
CAS No: 113808-40-5 Catalog No: AG0009QP MDL No:
Product Description
Catalog Number:
AG0009QP
Chemical Name:
Acetamide, 2-chloro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-
CAS Number:
113808-40-5
Molecular Formula:
C10H7ClN4O3S
Molecular Weight:
298.7056
IUPAC Name:
2-chloro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
InChI:
InChI=1S/C10H7ClN4O3S/c11-5-8(16)12-10-14-13-9(19-10)6-2-1-3-7(4-6)15(17)18/h1-4H,5H2,(H,12,14,16)
InChI Key:
SUCPZCARJLCGAW-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1nnc(s1)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
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