Chemical ID: 5069961

CC(c1cc2cc(ccc2o1)Br)N
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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