Chemical ID: 5512006

c1ccc(c(c1)COc2ccc(cc2Cl)C#N)F
Chemical ID:
5512006
Name [?]:
3-chloro-4-[(2-fluorophenyl)methoxy]benzonitrile
SMILES [?]:
c1ccc(c(c1)COc2ccc(cc2Cl)C#N)F
InChi [?]:
InChI=1/C14H9ClFNO/c15-12-7-10(8-17)5-6-14(12)18-9-11-3-1-2-4-13(11)16/h1-7H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,11,10,13,16,7,12,5,14,4,9,15,18,17,8/rA:18nCCCCCCCOCCCCCCClCNF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;t16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9ClFNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.30964
Area:447.663
Solvation:-2.88193
Coulombic:-17.1116
Bond Count [?]
All:19
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:261.678
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.15
LogP (Chemaxon):4.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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