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1245648-37-6 | 3-Pyridinamine, 5-bromo-2-(phenylmethoxy)-
CAS No: 1245648-37-6 Catalog No: AG000MCM MDL No:
Product Description
Catalog Number:
AG000MCM
Chemical Name:
3-Pyridinamine, 5-bromo-2-(phenylmethoxy)-
CAS Number:
1245648-37-6
Molecular Formula:
C12H11BrN2O
Molecular Weight:
279.1325
IUPAC Name:
5-bromo-2-phenylmethoxypyridin-3-amine
InChI:
InChI=1S/C12H11BrN2O/c13-10-6-11(14)12(15-7-10)16-8-9-4-2-1-3-5-9/h1-7H,8,14H2
InChI Key:
JFPLHVNJHOJVPF-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(c1)N)OCc1ccccc1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.137g/mol
Monoisotopic Mass:
278.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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