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81028-92-4 | 3-(3,5-Dichlorophenoxy)benzaldehyde
CAS No: 81028-92-4 Catalog No: AG003I1V MDL No:MFCD00003355
Product Description
Catalog Number:
AG003I1V
Chemical Name:
3-(3,5-Dichlorophenoxy)benzaldehyde
CAS Number:
81028-92-4
Molecular Formula:
C13H8Cl2O2
Molecular Weight:
267.1074
MDL Number:
MFCD00003355
IUPAC Name:
3-(3,5-dichlorophenoxy)benzaldehyde
InChI:
InChI=1S/C13H8Cl2O2/c14-10-5-11(15)7-13(6-10)17-12-3-1-2-9(4-12)8-16/h1-8H
InChI Key:
BISWHYILBVQCRA-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)Oc1cc(Cl)cc(c1)Cl
EC Number:
279-661-4
Properties
Complexity:
250
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:
4.6
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