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2972-71-6 | Propanedinitrile, 2-[(3-fluorophenyl)methylene]-
CAS No: 2972-71-6 Catalog No: AG002Z7R MDL No:MFCD00245767
Product Description
Catalog Number:
AG002Z7R
Chemical Name:
Propanedinitrile, 2-[(3-fluorophenyl)methylene]-
CAS Number:
2972-71-6
Molecular Formula:
C10H5FN2
Molecular Weight:
172.1585
MDL Number:
MFCD00245767
IUPAC Name:
2-[(3-fluorophenyl)methylidene]propanedinitrile
InChI:
InChI=1S/C10H5FN2/c11-10-3-1-2-8(5-10)4-9(6-12)7-13/h1-5H
InChI Key:
MLRZOABCXQDAOS-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cccc(c1)F)C#N
NSC Number:
637332
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.162g/mol
Monoisotopic Mass:
172.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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