Chemical ID: 5022953

c1ccc(cc1)C(=O)OCCCCl
Chemical ID:
5022953
Name [?]:
3-chloropropyl benzoate
SMILES [?]:
c1ccc(cc1)C(=O)OCCCCl
InChi [?]:
InChI=1/C10H11ClO2/c11-7-4-8-13-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,3,5,12,10,4,7,13,8,9/E:(2,3)(5,6)/rA:13nCCCCCCCOOCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11ClO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:8.12255
Area:392.899
Solvation:-1.69994
Coulombic:-22.0518
Bond Count [?]
All:13
Single:9
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:198.646
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.08
LogP (Chemaxon):2.35

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue