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1556704-76-7 | 3,4-Pyridinediamine, 5-bromo-2-chloro-N3-ethyl-
CAS No: 1556704-76-7 Catalog No: AG001O3S MDL No:
Product Description
Catalog Number:
AG001O3S
Chemical Name:
3,4-Pyridinediamine, 5-bromo-2-chloro-N3-ethyl-
CAS Number:
1556704-76-7
Molecular Formula:
C7H9BrClN3
Molecular Weight:
250.5235
IUPAC Name:
5-bromo-2-chloro-3-N-ethylpyridine-3,4-diamine
InChI:
InChI=1S/C7H9BrClN3/c1-2-11-6-5(10)4(8)3-12-7(6)9/h3,11H,2H2,1H3,(H2,10,12)
InChI Key:
JWLCTARGJHTLKS-UHFFFAOYSA-N
SMILES:
CCNc1c(Cl)ncc(c1N)Br
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.967g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.524g/mol
Monoisotopic Mass:
248.967g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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