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1227268-98-5 | 4-Pyridinamine, 3-bromo-5-iodo-2-methoxy-
CAS No: 1227268-98-5 Catalog No: AG000J4B MDL No:
Product Description
Catalog Number:
AG000J4B
Chemical Name:
4-Pyridinamine, 3-bromo-5-iodo-2-methoxy-
CAS Number:
1227268-98-5
Molecular Formula:
C6H6BrIN2O
Molecular Weight:
328.9331
IUPAC Name:
3-bromo-5-iodo-2-methoxypyridin-4-amine
InChI:
InChI=1S/C6H6BrIN2O/c1-11-6-4(7)5(9)3(8)2-10-6/h2H,1H3,(H2,9,10)
InChI Key:
UXWBCEIGPUSDDR-UHFFFAOYSA-N
SMILES:
COc1ncc(c(c1Br)N)I
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.871g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.935g/mol
Monoisotopic Mass:
327.871g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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