Chemical ID: 4441358

c1cc(ccc1OCC(=O)NCCO)Br
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

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