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Home > Nitro Compounds > 331981-25-0
331981-25-0 | N-(3-Nitro-phenyl)-2-thiocyanato-acetamide
CAS No: 331981-25-0 Catalog No: AG01FBEG MDL No:
Product Description
Catalog Number:
AG01FBEG
Chemical Name:
N-(3-Nitro-phenyl)-2-thiocyanato-acetamide
CAS Number:
331981-25-0
Molecular Formula:
C9H7N3O3S
Molecular Weight:
237.2352
IUPAC Name:
[2-(3-nitroanilino)-2-oxoethyl] thiocyanate
InChI:
InChI=1S/C9H7N3O3S/c10-6-16-5-9(13)11-7-2-1-3-8(4-7)12(14)15/h1-4H,5H2,(H,11,13)
InChI Key:
AIUFQAUGNKHLPH-UHFFFAOYSA-N
SMILES:
N#CSCC(=O)Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.233g/mol
Monoisotopic Mass:
237.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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