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767342-27-8 | 3-Pyridinamine, 5-bromo-N-(3-furanylmethyl)-
CAS No: 767342-27-8 Catalog No: AG005IIH MDL No:
Product Description
Catalog Number:
AG005IIH
Chemical Name:
3-Pyridinamine, 5-bromo-N-(3-furanylmethyl)-
CAS Number:
767342-27-8
Molecular Formula:
C10H9BrN2O
Molecular Weight:
253.0953
IUPAC Name:
5-bromo-N-(furan-3-ylmethyl)pyridin-3-amine
InChI:
InChI=1S/C10H9BrN2O/c11-9-3-10(6-12-5-9)13-4-8-1-2-14-7-8/h1-3,5-7,13H,4H2
InChI Key:
SMEMTDGCWSAVEL-UHFFFAOYSA-N
SMILES:
Brc1cncc(c1)NCc1cocc1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.99g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.099g/mol
Monoisotopic Mass:
251.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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