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Home > Aldehydes > 225640-55-1
225640-55-1 | Benzaldehyde, 4-bromo-2,5-dioctyl-
CAS No: 225640-55-1 Catalog No: AG006XK4 MDL No:
Product Description
Catalog Number:
AG006XK4
Chemical Name:
Benzaldehyde, 4-bromo-2,5-dioctyl-
CAS Number:
225640-55-1
Molecular Formula:
C23H37BrO
Molecular Weight:
409.4433
IUPAC Name:
4-bromo-2,5-dioctylbenzaldehyde
InChI:
InChI=1S/C23H37BrO/c1-3-5-7-9-11-13-15-20-18-23(24)21(17-22(20)19-25)16-14-12-10-8-6-4-2/h17-19H,3-16H2,1-2H3
InChI Key:
RMAVSUSZDPDOCT-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cc(C=O)c(cc1Br)CCCCCCCC
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.203g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.452g/mol
Monoisotopic Mass:
408.203g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2
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