Chemical ID: 5575490

c1cc2c(c(c1)Cl)C(=O)C2
Chemical ID:
5575490
Name [?]:
5-chlorobicyclo[4.2.0]octa-1,3,5-trien-7-one
SMILES [?]:
c1cc2c(c(c1)Cl)C(=O)C2
InChi [?]:
InChI=1/C8H5ClO/c9-6-3-1-2-5-4-7(10)8(5)6/h1-3H,4H2
InChi Info:
AuxInfo=1/0/N:1,2,6,10,3,5,8,4,7,9/rA:10nCCCCCCClCOC/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s3s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5ClO
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.62683
Area:298.24
Solvation:-1.82917
Coulombic:-8.25504
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:152.577
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.99
LogP (Chemaxon):1.67

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Experimental Annotations

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Descriptor Annotations

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