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Home > Nitro Compounds > 943112-50-3
943112-50-3 | N-(2-Methoxy-5-nitrophenyl)-2-(pyrrolidin-1-yl)acetamide
CAS No: 943112-50-3 Catalog No: AG01F7MA MDL No:
Product Description
Catalog Number:
AG01F7MA
Chemical Name:
N-(2-Methoxy-5-nitrophenyl)-2-(pyrrolidin-1-yl)acetamide
CAS Number:
943112-50-3
Molecular Formula:
C13H17N3O4
Molecular Weight:
279.2918
IUPAC Name:
N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ylacetamide
InChI:
InChI=1S/C13H17N3O4/c1-20-12-5-4-10(16(18)19)8-11(12)14-13(17)9-15-6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,17)
InChI Key:
HJZLRCUKYLNGDJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NC(=O)CN1CCCC1)[N+](=O)[O-]
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.296g/mol
Monoisotopic Mass:
279.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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