Chemical ID: 4877201

c1cc(c(cc1Cl)Cl)c2ccc(o2)C=CC(=O)O
Chemical ID:
4877201
Name [?]:
3-[5-(2,4-dichlorophenyl)-2-furyl]prop-2-enoic acid
SMILES [?]:
c1cc(c(cc1Cl)Cl)c2ccc(o2)C=CC(=O)O
InChi [?]:
InChI=1/C13H8Cl2O3/c14-8-1-4-10(11(15)7-8)12-5-2-9(18-12)3-6-13(16)17/h1-7H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,11,14,2,10,15,5,6,12,3,4,9,16,7,8,17,18,13/E:(16,17)/rA:18nCCCCCCClClCCCCOCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s10;d11;s9s12;s12;w14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8Cl2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.10928
Area:445.607
Solvation:-3.03089
Coulombic:-34.6181
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:283.106
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.81
LogP (Chemaxon):3.59

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Descriptor Annotations

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