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105350-44-5 | 4-(pyridin-3-ylmethoxy)aniline
CAS No: 105350-44-5 Catalog No: AG00JER6 MDL No:MFCD04970984
Product Description
Catalog Number:
AG00JER6
Chemical Name:
4-(pyridin-3-ylmethoxy)aniline
CAS Number:
105350-44-5
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD04970984
IUPAC Name:
4-(pyridin-3-ylmethoxy)aniline
InChI:
InChI=1S/C12H12N2O/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8H,9,13H2
InChI Key:
OCELZBJNNVNSDE-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)OCc1cccnc1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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