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Home > Nitro Compounds > 123270-23-5
123270-23-5 | Acetamide, N-[4-(cyanomethyl)-2-nitrophenyl]-
CAS No: 123270-23-5 Catalog No: AG000K9O MDL No:
Product Description
Catalog Number:
AG000K9O
Chemical Name:
Acetamide, N-[4-(cyanomethyl)-2-nitrophenyl]-
CAS Number:
123270-23-5
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
IUPAC Name:
N-[4-(cyanomethyl)-2-nitrophenyl]acetamide
InChI:
InChI=1S/C10H9N3O3/c1-7(14)12-9-3-2-8(4-5-11)6-10(9)13(15)16/h2-3,6H,4H2,1H3,(H,12,14)
InChI Key:
XHJXYBIIUUFVLB-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)[N+](=O)[O-])NC(=O)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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