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Chemical ID: 3996788
Chemical ID:
3996788
Name [?]:
2-amino-N-(2-bromophenyl)-acetamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CN)Br
InChi [?]:
InChI=1/C8H9BrN2O/c9-6-3-1-2-4-7(6)11-8(12)5-10/h1-4H,5,10H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,10,4,5,8,12,11,7,9/rA:12nCCCCCCNCOCNBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s4;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H9BrN2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.30237 |
Area: | 341.92 |
Solvation: | -2.24563 |
Coulombic: | -32.8459 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 229.074 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.97 |
LogP (Chemaxon): | 0.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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