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138716-56-0 | Benzenepropanenitrile, 2,4-dichloro-α-[(dimethylamino)methylene]-β-oxo-
CAS No: 138716-56-0 Catalog No: AG0019FS MDL No:MFCD05864661
Product Description
Catalog Number:
AG0019FS
Chemical Name:
Benzenepropanenitrile, 2,4-dichloro-α-[(dimethylamino)methylene]-β-oxo-
CAS Number:
138716-56-0
Molecular Formula:
C12H10Cl2N2O
Molecular Weight:
269.1266
MDL Number:
MFCD05864661
IUPAC Name:
(E)-2-(2,4-dichlorobenzoyl)-3-(dimethylamino)prop-2-enenitrile
InChI:
InChI=1S/C12H10Cl2N2O/c1-16(2)7-8(6-15)12(17)10-4-3-9(13)5-11(10)14/h3-5,7H,1-2H3/b8-7+
InChI Key:
YZCIMQOXZWNHSQ-BQYQJAHWSA-N
SMILES:
N#CC(=CN(C)C)C(=O)c1ccc(cc1Cl)Cl
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
268.017g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.125g/mol
Monoisotopic Mass:
268.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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