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126717-60-0 | Pyridine, 3-bromo-2-methyl-6-(phenylmethoxy)-
CAS No: 126717-60-0 Catalog No: AG000T50 MDL No:MFCD12406109
Product Description
Catalog Number:
AG000T50
Chemical Name:
Pyridine, 3-bromo-2-methyl-6-(phenylmethoxy)-
CAS Number:
126717-60-0
Molecular Formula:
C13H12BrNO
Molecular Weight:
278.1445
MDL Number:
MFCD12406109
IUPAC Name:
3-bromo-2-methyl-6-phenylmethoxypyridine
InChI:
InChI=1S/C13H12BrNO/c1-10-12(14)7-8-13(15-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChI Key:
RBXCAMWLXQQRPW-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1C)OCc1ccccc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.01g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.149g/mol
Monoisotopic Mass:
277.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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