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Home > Nitro Compounds > 379710-27-7
379710-27-7 | N-(2-methoxy-5-nitrophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CAS No: 379710-27-7 Catalog No: AG00IZP8 MDL No:MFCD02719366
Product Description
Catalog Number:
AG00IZP8
Chemical Name:
N-(2-methoxy-5-nitrophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CAS Number:
379710-27-7
Molecular Formula:
C12H13N5O4S
Molecular Weight:
323.3277
MDL Number:
MFCD02719366
IUPAC Name:
N-(2-methoxy-5-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
InChI:
InChI=1S/C12H13N5O4S/c1-16-7-13-15-12(16)22-6-11(18)14-9-5-8(17(19)20)3-4-10(9)21-2/h3-5,7H,6H2,1-2H3,(H,14,18)
InChI Key:
NCUJJPQJUFRVCU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NC(=O)CSc1nncn1C)[N+](=O)[O-]
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.069g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.327g/mol
Monoisotopic Mass:
323.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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