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Home > Nitro Compounds > 5367-39-5
5367-39-5 | N-[5-nitro-2-(1-pyrrolidinyl)phenyl]acetamide
CAS No: 5367-39-5 Catalog No: AG00JJWG MDL No:MFCD04061536
Product Description
Catalog Number:
AG00JJWG
Chemical Name:
N-[5-nitro-2-(1-pyrrolidinyl)phenyl]acetamide
CAS Number:
5367-39-5
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
MDL Number:
MFCD04061536
IUPAC Name:
3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
InChI:
InChI=1S/C17H16ClNO2/c1-2-21-16-10-6-5-9-15(16)19-17(20)12-11-13-7-3-4-8-14(13)18/h3-12H,2H2,1H3,(H,19,20)
InChI Key:
CBAYWDSATBNABO-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(ccc1N1CCCC1)[N+](=O)[O-]
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.77g/mol
Monoisotopic Mass:
301.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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