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850349-90-5 | 2-Pyridinamine,5-bromo-N-[(4-ethoxyphenyl)methyl]-
CAS No: 850349-90-5 Catalog No: AG004PV8 MDL No:
Product Description
Catalog Number:
AG004PV8
Chemical Name:
2-Pyridinamine,5-bromo-N-[(4-ethoxyphenyl)methyl]-
CAS Number:
850349-90-5
Molecular Formula:
C14H15BrN2O
Molecular Weight:
307.1857
IUPAC Name:
5-bromo-N-[(4-ethoxyphenyl)methyl]pyridin-2-amine
InChI:
InChI=1S/C14H15BrN2O/c1-2-18-13-6-3-11(4-7-13)9-16-14-8-5-12(15)10-17-14/h3-8,10H,2,9H2,1H3,(H,16,17)
InChI Key:
SDQPBUJGHFETFV-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)CNc1ccc(cn1)Br
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.037g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.191g/mol
Monoisotopic Mass:
306.037g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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