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Chemical ID: 4441358
Chemical ID:
4441358
Name [?]:
2-(4-bromophenoxy)-N-(2-hydroxyethyl)acetamide
SMILES [?]:
c1cc(ccc1OCC(=O)NCCO)Br
InChi [?]:
InChI=1/C10H12BrNO3/c11-8-1-3-9(4-2-8)15-7-10(14)12-5-6-13/h1-4,13H,5-7H2,(H,12,14)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,12,13,8,3,6,9,15,11,14,10,7/E:(1,2)(3,4)/rA:15nCCCCCCOCCONCCOBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s3;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12BrNO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.59402 |
Area: | 420.899 |
Solvation: | -4.92847 |
Coulombic: | -44.6362 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 274.111 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.2 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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