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1365271-67-5 | Benzonitrile, 4-(3-fluorobenzoyl)-
CAS No: 1365271-67-5 Catalog No: AG0011Z3 MDL No:MFCD21609717
Product Description
Catalog Number:
AG0011Z3
Chemical Name:
Benzonitrile, 4-(3-fluorobenzoyl)-
CAS Number:
1365271-67-5
Molecular Formula:
C14H8FNO
Molecular Weight:
225.2178
MDL Number:
MFCD21609717
IUPAC Name:
4-(3-fluorobenzoyl)benzonitrile
InChI:
InChI=1S/C14H8FNO/c15-13-3-1-2-12(8-13)14(17)11-6-4-10(9-16)5-7-11/h1-8H
InChI Key:
ARIWCURIZIYVQZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)c1cccc(c1)F
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.222g/mol
Monoisotopic Mass:
225.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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