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Home > Aldehydes > 203380-32-9
203380-32-9 | 3-Pyridinecarboxaldehyde, 2-bromo-6-butyl-
CAS No: 203380-32-9 Catalog No: AG0028UL MDL No:
Product Description
Catalog Number:
AG0028UL
Chemical Name:
3-Pyridinecarboxaldehyde, 2-bromo-6-butyl-
CAS Number:
203380-32-9
Molecular Formula:
C10H12BrNO
Molecular Weight:
242.1124
IUPAC Name:
4-butyl-1-ethenyl-2-methylbenzene
InChI:
InChI=1S/C13H18/c1-4-6-7-12-8-9-13(5-2)11(3)10-12/h5,8-10H,2,4,6-7H2,1,3H3
InChI Key:
OJQGOGRZNQQPHZ-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(c(n1)Br)C=O
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.287g/mol
Monoisotopic Mass:
174.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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