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Chemical ID: 6647808
Chemical ID:
6647808
Name [?]:
2-bromo-N-(2-cyanophenyl)-acetamide
SMILES [?]:
c1ccc(c(c1)C#N)NC(=O)CBr
InChi [?]:
InChI=1/C9H7BrN2O/c10-5-9(13)12-8-4-2-1-3-7(8)6-11/h1-4H,5H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,7,5,4,10,13,8,9,11/rA:13nCCCCCCCNNCOCBr/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H7BrN2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.7366 |
Area: | 363.593 |
Solvation: | -2.35322 |
Coulombic: | -23.5933 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 239.069 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.0 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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