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1289027-85-5 | Pyridine, 4-bromo-2-butoxy-
CAS No: 1289027-85-5 Catalog No: AG000YI2 MDL No:
Product Description
Catalog Number:
AG000YI2
Chemical Name:
Pyridine, 4-bromo-2-butoxy-
CAS Number:
1289027-85-5
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
IUPAC Name:
4-bromo-2-butoxypyridine
InChI:
InChI=1S/C9H12BrNO/c1-2-3-6-12-9-7-8(10)4-5-11-9/h4-5,7H,2-3,6H2,1H3
InChI Key:
HKHKWHALRIANCO-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(Br)ccn1
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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