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Chemical ID: 7532843

Chemical ID:

7532843

Name [?]:

2-[(3-chloro-4,5-dimethoxy-phenyl)methylene]-3H-benzofuran-3-ol

SMILES [?]:

COc1cc(cc(c1OC)Cl)C=C2C(c3ccccc3O2)O

InChi [?]:

InChI=1/C17H15ClO4/c1-20-15-9-10(7-12(18)17(15)21-2)8-14-16(19)11-5-3-4-6-13(11)22-14/h3-9,16,19H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,10,17,18,16,19,6,12,4,5,15,7,20,13,3,14,8,11,22,2,9,21/rA:22cCOCCCCCCOCClCCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s5;w12;s13;s14;s15;d16;s17;d18;d15s19;s13s20;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅ClO₄
All Atoms:	37
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	6.8284
Area:	495.368
Solvation:	-5.55581
Coulombic:	-40.8608

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.02
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