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Home > Aldehydes > 782236-42-4
782236-42-4 | Benzaldehyde, 4-bromo-2,5-dipropyl-
CAS No: 782236-42-4 Catalog No: AG005NIW MDL No:
Product Description
Catalog Number:
AG005NIW
Chemical Name:
Benzaldehyde, 4-bromo-2,5-dipropyl-
CAS Number:
782236-42-4
Molecular Formula:
C13H17BrO
Molecular Weight:
269.1775
IUPAC Name:
4-bromo-2,5-dipropylbenzaldehyde
InChI:
InChI=1S/C13H17BrO/c1-3-5-10-8-13(14)11(6-4-2)7-12(10)9-15/h7-9H,3-6H2,1-2H3
InChI Key:
MLGJKXOPEWHAML-UHFFFAOYSA-N
SMILES:
CCCc1cc(C=O)c(cc1Br)CCC
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.182g/mol
Monoisotopic Mass:
268.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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