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Home > Nitro Compounds > 88873-52-3
88873-52-3 | Benzamide, N-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-4-nitro-
CAS No: 88873-52-3 Catalog No: AG0049OJ MDL No:
Product Description
Catalog Number:
AG0049OJ
Chemical Name:
Benzamide, N-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-4-nitro-
CAS Number:
88873-52-3
Molecular Formula:
C9H6N4O3S2
Molecular Weight:
282.2989
IUPAC Name:
4-nitro-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzamide
InChI:
InChI=1S/C9H6N4O3S2/c14-7(10-8-11-12-9(17)18-8)5-1-3-6(4-2-5)13(15)16/h1-4H,(H,12,17)(H,10,11,14)
InChI Key:
IUMWJEARCONOBR-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])Nc1n[nH]c(=S)s1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.988g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.292g/mol
Monoisotopic Mass:
281.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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