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Chemical ID: 7091847
Chemical ID:
7091847
Name [?]:
N-(4-amino-2-bromo-phenyl)acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1Br)N
InChi [?]:
InChI=1/C8H9BrN2O/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,10H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,7,6,9,2,8,10,5,11,12,4,3/rA:12nCCONCCCCCCBrN/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s8;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H9BrN2O |
All Atoms: | 21 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.67436 |
Area: | 341.3 |
Solvation: | -1.85814 |
Coulombic: | -35.6749 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 229.074 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.83 |
LogP (Chemaxon): | 0.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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