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Home > Nitro Compounds > 88394-22-3
88394-22-3 | N-(3-METHYL-4-NITRO-THIAZOL-5-YL)ACETAMIDE
CAS No: 88394-22-3 Catalog No: AG004LJ0 MDL No:
Product Description
Catalog Number:
AG004LJ0
Chemical Name:
N-(3-METHYL-4-NITRO-THIAZOL-5-YL)ACETAMIDE
CAS Number:
88394-22-3
Molecular Formula:
C6H9N3O3S
Molecular Weight:
203.2190
IUPAC Name:
N-(3-methyl-4-nitro-1,2-thiazol-5-yl)acetamide
InChI:
InChI=1S/C6H7N3O3S/c1-3-5(9(11)12)6(13-8-3)7-4(2)10/h1-2H3,(H,7,10)
InChI Key:
OGWKKBVTBYBCOW-UHFFFAOYSA-N
SMILES:
CC(=O)NC1=C([N+](=O)[O-])N(CS1)C
NSC Number:
526784
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.021g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.2g/mol
Monoisotopic Mass:
201.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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