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951886-60-5 | 2-Bromo-4-(6-chloro-3-pyridyl)-1-butene
CAS No: 951886-60-5 Catalog No: AG01EZP5 MDL No:
Product Description
Catalog Number:
AG01EZP5
Chemical Name:
2-Bromo-4-(6-chloro-3-pyridyl)-1-butene
CAS Number:
951886-60-5
Molecular Formula:
C9H9BrClN
Molecular Weight:
246.5315
IUPAC Name:
5-(3-bromobut-3-enyl)-2-chloropyridine
InChI:
InChI=1S/C9H9BrClN/c1-7(10)2-3-8-4-5-9(11)12-6-8/h4-6H,1-3H2
InChI Key:
XQIGAKUAOZFEQH-UHFFFAOYSA-N
SMILES:
BrC(=C)CCc1ccc(nc1)Cl
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.961g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.532g/mol
Monoisotopic Mass:
244.961g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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