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Home > Bromides > 1254981-60-6
1254981-60-6 | Pyridine, 3-bromo-2-[[1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl]methoxy]-
CAS No: 1254981-60-6 Catalog No: AG000NQY MDL No:
Product Description
Catalog Number:
AG000NQY
Chemical Name:
Pyridine, 3-bromo-2-[[1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl]methoxy]-
CAS Number:
1254981-60-6
Molecular Formula:
C18H19BrN2O
Molecular Weight:
359.2603
IUPAC Name:
2-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methoxy]-3-bromopyridine
InChI:
InChI=1S/C18H19BrN2O/c19-17-7-4-10-20-18(17)22-14-16-8-11-21(12-9-16)13-15-5-2-1-3-6-15/h1-8,10H,9,11-14H2
InChI Key:
CYLJCSHDPIELDB-UHFFFAOYSA-N
SMILES:
Brc1cccnc1OCC1=CCN(CC1)Cc1ccccc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.267g/mol
Monoisotopic Mass:
358.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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