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79124-76-8 | 3-(3,4-Dichlorophenoxy)benzaldehyde
CAS No: 79124-76-8 Catalog No: AG003I1Q MDL No:
Product Description
Catalog Number:
AG003I1Q
Chemical Name:
3-(3,4-Dichlorophenoxy)benzaldehyde
CAS Number:
79124-76-8
Molecular Formula:
C13H8Cl2O2
Molecular Weight:
267.1074
IUPAC Name:
3-(3,4-dichlorophenoxy)benzaldehyde
InChI:
InChI=1S/C13H8Cl2O2/c14-12-5-4-11(7-13(12)15)17-10-3-1-2-9(6-10)8-16/h1-8H
InChI Key:
ABQHJSHFFLAGHF-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)Oc1ccc(c(c1)Cl)Cl
EC Number:
279-069-6
UNII:
98S99P2ILL
Properties
Complexity:
260
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:
4.2
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