Chemical ID: 4950097

CCCCCCNC(=O)C(C)Br
Chemical ID:
4950097
Name [?]:
2-bromo-N-hexyl-propanamide
SMILES [?]:
CCCCCCNC(=O)C(C)Br
InChi [?]:
InChI=1/C9H18BrNO/c1-3-4-5-6-7-11-9(12)8(2)10/h8H,3-7H2,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,11,2,3,4,5,6,10,8,12,7,9/rA:12cCCCCCCNCOCCBr/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H18BrNO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:8.44894
Area:402.921
Solvation:-1.62409
Coulombic:-22.1133
Bond Count [?]
All:11
Single:10
Double:1
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:236.149
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.07
LogP (Chemaxon):2.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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