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1268322-18-4 | Benzeneacetonitrile, α-[(dimethylamino)methylene]-2-fluoro-
CAS No: 1268322-18-4 Catalog No: AG000TB0 MDL No:
Product Description
Catalog Number:
AG000TB0
Chemical Name:
Benzeneacetonitrile, α-[(dimethylamino)methylene]-2-fluoro-
CAS Number:
1268322-18-4
Molecular Formula:
C11H11FN2
Molecular Weight:
190.2168
IUPAC Name:
3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile
InChI:
InChI=1S/C11H11FN2/c1-14(2)8-9(7-13)10-5-3-4-6-11(10)12/h3-6,8H,1-2H3
InChI Key:
GJMTYJOZYAORQU-UHFFFAOYSA-N
SMILES:
N#CC(=CN(C)C)c1ccccc1F
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.091g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.221g/mol
Monoisotopic Mass:
190.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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