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Home > Aldehydes > 342889-39-8
342889-39-8 | Benzaldehyde,4-(1,3-benzodioxol-5-yl)-
CAS No: 342889-39-8 Catalog No: AG007GVA MDL No:MFCD07782410
Product Description
Catalog Number:
AG007GVA
Chemical Name:
Benzaldehyde,4-(1,3-benzodioxol-5-yl)-
CAS Number:
342889-39-8
Molecular Formula:
C13H8ClFO
Molecular Weight:
234.6534
MDL Number:
MFCD07782410
IUPAC Name:
4-(1,3-benzodioxol-5-yl)benzaldehyde
InChI:
InChI=1S/C14H10O3/c15-8-10-1-3-11(4-2-10)12-5-6-13-14(7-12)17-9-16-13/h1-8H,9H2
InChI Key:
LPIFQHGQMIRTBE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1cccc(c1F)Cl
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.231g/mol
Monoisotopic Mass:
226.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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