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Chemical ID: 4442453
Chemical ID:
4442453
Name [?]:
2-(2-bromophenoxy)-N,N-dimethyl-ethanamine
SMILES [?]:
CN(C)CCOc1ccccc1Br
InChi [?]:
InChI=1/C10H14BrNO/c1-12(2)7-8-13-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,9,11,8,4,5,12,7,13,2,6/E:(1,2)/rA:13nCNCCCOCCCCCCBr/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14BrNO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.03841 |
Area: | 365.775 |
Solvation: | -2.10595 |
Coulombic: | -13.7896 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 244.128 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.59 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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