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102645-54-5 | 2-Propenal, 2-(3,4-dichlorophenoxy)-3-(dimethylamino)-
CAS No: 102645-54-5 Catalog No: AG00080I MDL No:
Product Description
Catalog Number:
AG00080I
Chemical Name:
2-Propenal, 2-(3,4-dichlorophenoxy)-3-(dimethylamino)-
CAS Number:
102645-54-5
Molecular Formula:
C11H11Cl2NO2
Molecular Weight:
260.1165
IUPAC Name:
2-(3,4-dichlorophenoxy)-3-(dimethylamino)prop-2-enal
InChI:
InChI=1S/C11H11Cl2NO2/c1-14(2)6-9(7-15)16-8-3-4-10(12)11(13)5-8/h3-7H,1-2H3
InChI Key:
ZNCDORGWHRORNA-UHFFFAOYSA-N
SMILES:
O=CC(=CN(C)C)Oc1ccc(c(c1)Cl)Cl
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.114g/mol
Monoisotopic Mass:
259.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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