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Home > Nitro Compounds > 566926-17-8
566926-17-8 | 2-cyano-N-[(4-nitrophenyl)methyl]acetamide
CAS No: 566926-17-8 Catalog No: AG01B1M3 MDL No:MFCD12763463
Product Description
Catalog Number:
AG01B1M3
Chemical Name:
2-cyano-N-[(4-nitrophenyl)methyl]acetamide
CAS Number:
566926-17-8
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
MDL Number:
MFCD12763463
IUPAC Name:
2-cyano-N-[(4-nitrophenyl)methyl]acetamide
InChI:
InChI=1S/C10H9N3O3/c11-6-5-10(14)12-7-8-1-3-9(4-2-8)13(15)16/h1-4H,5,7H2,(H,12,14)
InChI Key:
JBQJIQROBKAQNT-UHFFFAOYSA-N
SMILES:
N#CCC(=O)NCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
307
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:
3
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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