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Chemical ID: 6689243
Chemical ID:
6689243
Name [?]:
tert-butyl (4-bromophenyl)aminoformate
SMILES [?]:
CC(C)(C)OC(=O)Nc1ccc(cc1)Br
InChi [?]:
InChI=1/C11H14BrNO2/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:15nCCCCOCONCCCCCCBr/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14BrNO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76657 |
Area: | 401.905 |
Solvation: | -1.28106 |
Coulombic: | -34.5355 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 272.138 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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