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Chemical ID: 7513247

Chemical ID:

7513247

Name [?]:

3-(4-bromophenyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole

SMILES [?]:

c1ccc(c(c1)c2nc(no2)c3ccc(cc3)Br)F

InChi [?]:

InChI=1/C14H8BrFN2O/c15-10-7-5-9(6-8-10)13-17-14(19-18-13)11-3-1-2-4-12(11)16/h1-8H

InChi Info:

AuxInfo=1/0/N:1,2,6,3,13,17,14,16,12,15,5,4,9,7,18,19,8,10,11/E:(5,6)(7,8)/rA:19nCCCCCCCNCNOCCCCCCBrF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₈BrFN₂O
All Atoms:	27
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	8.73625
Area:	444.679
Solvation:	-2.38071
Coulombic:	-18.3209

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.06
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value