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138716-60-6 | Benzenepropanenitrile, α-[(dimethylamino)methylene]-2,4-difluoro-β-oxo-
CAS No: 138716-60-6 Catalog No: AG0019FR MDL No:
Product Description
Catalog Number:
AG0019FR
Chemical Name:
Benzenepropanenitrile, α-[(dimethylamino)methylene]-2,4-difluoro-β-oxo-
CAS Number:
138716-60-6
Molecular Formula:
C12H10F2N2O
Molecular Weight:
236.2174
IUPAC Name:
(E)-2-(2,4-difluorobenzoyl)-3-(dimethylamino)prop-2-enenitrile
InChI:
InChI=1S/C12H10F2N2O/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:
LBVXYAHPDWCZGR-BQYQJAHWSA-N
SMILES:
N#CC(=CN(C)C)C(=O)c1ccc(cc1F)F
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
236.076g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.222g/mol
Monoisotopic Mass:
236.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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