Chemical ID: 5559098

CCC(=O)c1ccc(cc1N=O)Br
Chemical ID:
5559098
Name [?]:
1-(4-bromo-2-nitroso-phenyl)propan-1-one
SMILES [?]:
CCC(=O)c1ccc(cc1N=O)Br
InChi [?]:
InChI=1/C9H8BrNO2/c1-2-9(12)7-4-3-6(10)5-8(7)11-13/h3-5H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,9,8,5,10,3,13,11,4,12/rA:13nCCCOCCCCCCNOBr/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;d11;s8;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8BrNO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.52906
Area:359.32
Solvation:-2.45394
Coulombic:-9.02322
Bond Count [?]
All:13
Single:8
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:242.069
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.45
LogP (Chemaxon):2.55

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Descriptor Annotations

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