Chemical ID: 6689243

CC(C)(C)OC(=O)Nc1ccc(cc1)Br
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

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