Chemical ID: 4120071

COC(=O)c1ccc(cc1)I
Chemical ID:
4120071
Name [?]:
methyl 4-iodobenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)I
InChi [?]:
InChI=1/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,10,7,9,5,8,3,11,4,2/E:(2,3)(4,5)/rA:11nCOCOCCCCCCI/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7IO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:7.28875
Area:346.186
Solvation:-1.3659
Coulombic:-21.053
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:262.044
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.03
LogP (Chemaxon):2.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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