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Home > Nitro Compounds > 77414-51-8
77414-51-8 | 4-(3-Nitrophenyl)-1,2,3-thiadiazole
CAS No: 77414-51-8 Catalog No: AG0053S7 MDL No:MFCD20524968
Product Description
Catalog Number:
AG0053S7
Chemical Name:
4-(3-Nitrophenyl)-1,2,3-thiadiazole
CAS Number:
77414-51-8
Molecular Formula:
C8H5N3O2S
Molecular Weight:
207.2092
MDL Number:
MFCD20524968
IUPAC Name:
4-(3-nitrophenyl)thiadiazole
InChI:
InChI=1S/C8H5N3O2S/c12-11(13)7-3-1-2-6(4-7)8-5-14-10-9-8/h1-5H
InChI Key:
MYLRSQWTYDXVCE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1csnn1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.207g/mol
Monoisotopic Mass:
207.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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