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Chemical ID: 4247375
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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