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Home > Nitro Compounds > 800408-77-9
800408-77-9 | 1,2,4-Thiadiazole,3-methyl-5-(4-nitrophenyl)-(9CI)
CAS No: 800408-77-9 Catalog No: AG00G8MW MDL No:MFCD14584592
Product Description
Catalog Number:
AG00G8MW
Chemical Name:
1,2,4-Thiadiazole,3-methyl-5-(4-nitrophenyl)-(9CI)
CAS Number:
800408-77-9
Molecular Formula:
C9H7N3O2S
Molecular Weight:
221.2358
MDL Number:
MFCD14584592
IUPAC Name:
3-methyl-5-(4-nitrophenyl)-1,2,4-thiadiazole
InChI:
InChI=1S/C9H7N3O2S/c1-6-10-9(15-11-6)7-2-4-8(5-3-7)12(13)14/h2-5H,1H3
InChI Key:
JFCLLGAHGPPTBU-UHFFFAOYSA-N
SMILES:
Cc1nsc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.234g/mol
Monoisotopic Mass:
221.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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