Chemical ID: 4247375

CNCCOc1ccc(cc1Cl)Br
Chemical ID:
4247375
Name [?]:
2-(4-bromo-2-chloro-phenoxy)-N-methyl-ethanamine
SMILES [?]:
CNCCOc1ccc(cc1Cl)Br
InChi [?]:
InChI=1/C9H11BrClNO/c1-12-4-5-13-9-3-2-7(10)6-8(9)11/h2-3,6,12H,4-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,7,3,4,10,9,11,6,13,12,2,5/rA:13nCNCCOCCCCCCClBr/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s9;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11BrClNO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.00402
Area:392.74
Solvation:-2.8145
Coulombic:-16.5994
Bond Count [?]
All:13
Single:10
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:264.546
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.97
LogP (Chemaxon):2.72

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Descriptor Annotations

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