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Home > Fluorides > 141892-93-5
141892-93-5 | Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxopropyl]-
CAS No: 141892-93-5 Catalog No: AG001HCF MDL No:
Product Description
Catalog Number:
AG001HCF
Chemical Name:
Benzonitrile, 4-[3-(4-fluorophenyl)-1-oxopropyl]-
CAS Number:
141892-93-5
Molecular Formula:
C16H12FNO
Molecular Weight:
253.2710
IUPAC Name:
4-[3-(4-fluorophenyl)propanoyl]benzonitrile
InChI:
InChI=1S/C16H12FNO/c17-15-8-3-12(4-9-15)5-10-16(19)14-6-1-13(11-18)2-7-14/h1-4,6-9H,5,10H2
InChI Key:
BMFRAJGWCPIUHQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)CCc1ccc(cc1)F
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.276g/mol
Monoisotopic Mass:
253.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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