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Home > Imidazoles > 1087788-41-7
1087788-41-7 | N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1H-imidazole-1-carboxamide
CAS No: 1087788-41-7 Catalog No: AG019QQN MDL No:MFCD11099717
Product Description
Catalog Number:
AG019QQN
Chemical Name:
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1H-imidazole-1-carboxamide
CAS Number:
1087788-41-7
Molecular Formula:
C14H15N3O3
Molecular Weight:
273.2872
MDL Number:
MFCD11099717
IUPAC Name:
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazole-1-carboxamide
InChI:
InChI=1S/C14H15N3O3/c18-14(17-6-5-15-10-17)16-4-3-11-1-2-12-13(9-11)20-8-7-19-12/h1-2,5-6,9-10H,3-4,7-8H2,(H,16,18)
InChI Key:
DBDAQZVUYBOVAL-UHFFFAOYSA-N
SMILES:
O=C(n1cncc1)NCCc1ccc2c(c1)OCCO2
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.292g/mol
Monoisotopic Mass:
273.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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