Chemical ID: 5033131

CC(C)CNC(=O)CBr
Chemical ID:
5033131
Name [?]:
2-bromo-N-isobutyl-acetamide
SMILES [?]:
CC(C)CNC(=O)CBr
InChi [?]:
InChI=1/C6H12BrNO/c1-5(2)4-8-6(9)3-7/h5H,3-4H2,1-2H3,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,3,8,4,2,6,9,5,7/E:(1,2)/rA:9nCCCCNCOCBr/rB:s1;s2;s2;s4;s5;d6;s6;s8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H12BrNO
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:6.02982
Area:319.608
Solvation:-1.96038
Coulombic:-20.4293
Bond Count [?]
All:8
Single:7
Double:1
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:194.07
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.36
LogP (Chemaxon):1.08

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Descriptor Annotations

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