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Chemical ID: 4694953

Chemical ID:

4694953

Name [?]:

(5,7-dichloro-3-methyl-benzofuran-2-yl)-(4-fluorophenyl)-methanone

SMILES [?]:

Cc1c2cc(cc(c2oc1C(=O)c3ccc(cc3)F)Cl)Cl

InChi [?]:

InChI=1/C16H9Cl2FO2/c1-8-12-6-10(17)7-13(18)16(12)21-15(8)14(20)9-2-4-11(19)5-3-9/h2-7H,1H3

InChi Info:

AuxInfo=1/0/N:1,14,18,15,17,4,6,2,13,5,16,3,7,11,10,8,21,20,19,12,9/E:(2,3)(4,5)/rA:21nCCCCCCCCOCCOCCCCCCFClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s7;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₉Cl₂FO₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.5931
Area:	480.876
Solvation:	-2.42879
Coulombic:	-23.6121

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	323.145
H-Bond Donors:	0
H-Bond Acceptors:	1
XLogP:	5.18
LogP (Chemaxon):	5.25

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value