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78725-50-5 | Benzaldehyde, 4-(3,4-dichlorophenoxy)-
CAS No: 78725-50-5 Catalog No: AG005JUX MDL No:
Product Description
Catalog Number:
AG005JUX
Chemical Name:
Benzaldehyde, 4-(3,4-dichlorophenoxy)-
CAS Number:
78725-50-5
Molecular Formula:
C13H8Cl2O2
Molecular Weight:
267.1074
IUPAC Name:
4-(3,4-dichlorophenoxy)benzaldehyde
InChI:
InChI=1S/C13H8Cl2O2/c14-12-6-5-11(7-13(12)15)17-10-3-1-9(8-16)2-4-10/h1-8H
InChI Key:
ATGVBRQQWGDSHD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)Oc1ccc(c(c1)Cl)Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.99g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.105g/mol
Monoisotopic Mass:
265.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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