Chemical ID: 7230091

CC(C)(CO)NC(=O)c1cccc(c1)Br
Chemical ID:
7230091
Name [?]:
3-bromo-N-(2-hydroxy-1,1-dimethyl-ethyl)-benzamide
SMILES [?]:
CC(C)(CO)NC(=O)c1cccc(c1)Br
InChi [?]:
InChI=1/C11H14BrNO2/c1-11(2,7-14)13-10(15)8-4-3-5-9(12)6-8/h3-6,14H,7H2,1-2H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,11,10,12,14,4,9,13,7,2,15,6,5,8/E:(1,2)/rA:15nCCCCONCOCCCCCCBr/rB:s1;s2;s2;s4;s2;s6;d7;s7;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14BrNO2
All Atoms:29
Heavy Atoms:15
Chiral Atoms:None
ZAP Information [?]
Total:7.4913
Area:401.912
Solvation:-2.55651
Coulombic:-39.6544
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.39
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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