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918887-19-1 | Acetamide, N-[4-(1H-imidazol-1-ylmethoxy)phenyl]-
CAS No: 918887-19-1 Catalog No: AG006MGX MDL No:
Product Description
Catalog Number:
AG006MGX
Chemical Name:
Acetamide, N-[4-(1H-imidazol-1-ylmethoxy)phenyl]-
CAS Number:
918887-19-1
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
N-[4-(imidazol-1-ylmethoxy)phenyl]acetamide
InChI:
InChI=1S/C12H13N3O2/c1-10(16)14-11-2-4-12(5-3-11)17-9-15-7-6-13-8-15/h2-8H,9H2,1H3,(H,14,16)
InChI Key:
DKAAIKXHOJVKAZ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)OCn1cncc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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