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Home > Nitro Compounds > 331459-59-7
331459-59-7 | 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
CAS No: 331459-59-7 Catalog No: AG00ISTE MDL No:MFCD00169082
Product Description
Catalog Number:
AG00ISTE
Chemical Name:
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
CAS Number:
331459-59-7
Molecular Formula:
C11H11N5O3S
Molecular Weight:
293.3017
MDL Number:
MFCD00169082
IUPAC Name:
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
InChI:
InChI=1S/C11H11N5O3S/c1-15-7-12-14-11(15)20-6-10(17)13-8-3-2-4-9(5-8)16(18)19/h2-5,7H,6H2,1H3,(H,13,17)
InChI Key:
HMMQDNJUMOTACP-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)[N+](=O)[O-])CSc1nncn1C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.301g/mol
Monoisotopic Mass:
293.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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