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104800-03-5 | N-[4-(3-Chloro-propoxy)-phenyl]-acetamide
CAS No: 104800-03-5 Catalog No: AG01FBGI MDL No:
Product Description
Catalog Number:
AG01FBGI
Chemical Name:
N-[4-(3-Chloro-propoxy)-phenyl]-acetamide
CAS Number:
104800-03-5
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
IUPAC Name:
N-[4-(3-chloropropoxy)phenyl]acetamide
InChI:
InChI=1S/C11H14ClNO2/c1-9(14)13-10-3-5-11(6-4-10)15-8-2-7-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChI Key:
XIULNVXCBVMTDH-UHFFFAOYSA-N
SMILES:
ClCCCOc1ccc(cc1)NC(=O)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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