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833-63-6 | 5-(4-Nitrophenyl)-1,3,4-thiadiazol-2-amine
CAS No: 833-63-6 Catalog No: AG00555P MDL No:MFCD00046073
Product Description
Catalog Number:
AG00555P
Chemical Name:
5-(4-Nitrophenyl)-1,3,4-thiadiazol-2-amine
CAS Number:
833-63-6
Molecular Formula:
C8H6N4O2S
Molecular Weight:
222.2238
MDL Number:
MFCD00046073
IUPAC Name:
5-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C8H6N4O2S/c9-8-11-10-7(15-8)5-1-3-6(4-2-5)12(13)14/h1-4H,(H2,9,11)
InChI Key:
XAPNDVNSXWXPJS-UHFFFAOYSA-N
SMILES:
Nc1nnc(s1)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
83129
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.222g/mol
Monoisotopic Mass:
222.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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