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112677-70-0 | 3-[2-(1H-imidazol-1-yl)ethoxy]aniline
CAS No: 112677-70-0 Catalog No: AG01A7AS MDL No:MFCD11652481
Product Description
Catalog Number:
AG01A7AS
Chemical Name:
3-[2-(1H-imidazol-1-yl)ethoxy]aniline
CAS Number:
112677-70-0
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
MDL Number:
MFCD11652481
IUPAC Name:
3-(2-imidazol-1-ylethoxy)aniline
InChI:
InChI=1S/C11H13N3O/c12-10-2-1-3-11(8-10)15-7-6-14-5-4-13-9-14/h1-5,8-9H,6-7,12H2
InChI Key:
MSHCBMNAPXVHPU-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)OCCn1cncc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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