Chemical ID: 7087862

CC(C)(C)OC(=O)Nc1ccc(cc1)I
Chemical ID:
7087862
Name [?]:
tert-butyl (4-iodophenyl)aminoformate
SMILES [?]:
CC(C)(C)OC(=O)Nc1ccc(cc1)I
InChi [?]:
InChI=1/C11H14INO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,13,10,14,12,9,6,2,15,8,7,5/E:(1,2,3)(4,5)(6,7)/rA:15nCCCCOCONCCCCCCI/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14INO2
All Atoms:29
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:9.21302
Area:418.62
Solvation:-1.25247
Coulombic:-34.4953
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:319.139
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.81
LogP (Chemaxon):3.82

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Descriptor Annotations

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