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Chemical ID: 4675584
Chemical ID:
4675584
Name [?]:
1-(4-bromophenyl)-2-dimethylamino-ethanol
SMILES [?]:
CN(C)CC(c1ccc(cc1)Br)O
InChi [?]:
InChI=1/C10H14BrNO/c1-12(2)7-10(13)8-3-5-9(11)6-4-8/h3-6,10,13H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,11,8,10,4,6,9,5,12,2,13/E:(1,2)(3,4)(5,6)/rA:13cCNCCCCCCCCCBrO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14BrNO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.91889 |
Area: | 377.524 |
Solvation: | -2.51922 |
Coulombic: | -22.9707 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 244.128 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.97 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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