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Chemical ID: 5069961
Chemical ID:
5069961
Name [?]:
1-(5-bromobenzofuran-2-yl)ethanamine
SMILES [?]:
CC(c1cc2cc(ccc2o1)Br)N
InChi [?]:
InChI=1/C10H10BrNO/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-6H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,6,4,2,5,7,10,3,12,13,11/rA:13cCCCCCCCCCCOBrN/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s7;s2;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10BrNO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.02515 |
Area: | 355.51 |
Solvation: | -1.86259 |
Coulombic: | -20.1856 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 240.097 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.52 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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