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821784-24-1 | Phenol, 3-[[[5-(1,3-benzodioxol-5-yl)-3-pyridinyl]amino]methyl]-
CAS No: 821784-24-1 Catalog No: AG005I6R MDL No:
Product Description
Catalog Number:
AG005I6R
Chemical Name:
Phenol, 3-[[[5-(1,3-benzodioxol-5-yl)-3-pyridinyl]amino]methyl]-
CAS Number:
821784-24-1
Molecular Formula:
C19H16N2O3
Molecular Weight:
320.3419
IUPAC Name:
3-[[[5-(1,3-benzodioxol-5-yl)pyridin-3-yl]amino]methyl]phenol
InChI:
InChI=1S/C19H16N2O3/c22-17-3-1-2-13(6-17)9-21-16-7-15(10-20-11-16)14-4-5-18-19(8-14)24-12-23-18/h1-8,10-11,21-22H,9,12H2
InChI Key:
APDSRBYUZZKDBQ-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)CNc1cncc(c1)c1ccc2c(c1)OCO2
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.348g/mol
Monoisotopic Mass:
320.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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