Home Nitros N-(4-Cyanomethyl-2-nitro-phenyl)-acetamide

N-(4-Cyanomethyl-2-nitro-phenyl)-acetamide

CAS No.:
123270-23-5
Catalog Number:
AG000K9O
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$221
- +
5g
95%
1 week
United States
$587
- +
25g
95%
1 week
United States
$1684
- +
Product Description
Catalog Number:
AG000K9O
Chemical Name:
N-(4-Cyanomethyl-2-nitro-phenyl)-acetamide
CAS Number:
123270-23-5
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
MDL Number:
MFCD00189257
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  
Properties