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Home > Nitro Compounds > 1955541-25-9
1955541-25-9 | 5-nitro-2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzoic acid
CAS No: 1955541-25-9 Catalog No: AG01B5W3 MDL No:MFCD30181228
Product Description
Catalog Number:
AG01B5W3
Chemical Name:
5-nitro-2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzoic acid
CAS Number:
1955541-25-9
MDL Number:
MFCD30181228
IUPAC Name:
5-nitro-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]benzoic acid
InChI:
InChI=1S/C9H5N3O4S3/c13-7(14)5-3-4(12(15)16)1-2-6(5)18-9-11-10-8(17)19-9/h1-3H,(H,10,17)(H,13,14)
InChI Key:
YBZKAMNUVJKLAW-UHFFFAOYSA-N
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.944g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.336g/mol
Monoisotopic Mass:
314.944g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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