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100876-50-4 | Acetamide, N-[2-(hexyloxy)-5-nitrophenyl]-
CAS No: 100876-50-4 Catalog No: AG00033H MDL No:
Product Description
Catalog Number:
AG00033H
Chemical Name:
Acetamide, N-[2-(hexyloxy)-5-nitrophenyl]-
CAS Number:
100876-50-4
Molecular Formula:
C14H20N2O4
Molecular Weight:
280.3196
IUPAC Name:
N-(2-hexoxy-5-nitrophenyl)acetamide
InChI:
InChI=1S/C14H20N2O4/c1-3-4-5-6-9-20-14-8-7-12(16(18)19)10-13(14)15-11(2)17/h7-8,10H,3-6,9H2,1-2H3,(H,15,17)
InChI Key:
JQVZVTLNHNXNKC-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1NC(=O)C)[N+](=O)[O-]
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.324g/mol
Monoisotopic Mass:
280.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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