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158461-52-0 | Benzenamine, 5-methoxy-2-(3-pyridinyl)-
CAS No: 158461-52-0 Catalog No: AG001Q7I MDL No:
Product Description
Catalog Number:
AG001Q7I
Chemical Name:
Benzenamine, 5-methoxy-2-(3-pyridinyl)-
CAS Number:
158461-52-0
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
5-methoxy-2-pyridin-3-ylaniline
InChI:
InChI=1S/C12H12N2O/c1-15-10-4-5-11(12(13)7-10)9-3-2-6-14-8-9/h2-8H,13H2,1H3
InChI Key:
OVISNWNCOMWLCS-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)N)c1cccnc1
Properties
Complexity:
198
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:
2
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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