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158615-97-5 | Pyridine, 5-bromo-2-butoxy-
CAS No: 158615-97-5 Catalog No: AG001QCV MDL No:MFCD13190749
Product Description
Catalog Number:
AG001QCV
Chemical Name:
Pyridine, 5-bromo-2-butoxy-
CAS Number:
158615-97-5
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
MDL Number:
MFCD13190749
IUPAC Name:
5-bromo-2-butoxypyridine
InChI:
InChI=1S/C9H12BrNO/c1-2-3-6-12-9-5-4-8(10)7-11-9/h4-5,7H,2-3,6H2,1H3
InChI Key:
RHKWVOXRHVREMU-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cn1)Br
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.105g/mol
Monoisotopic Mass:
229.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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