Chemical ID: 5624791

CC(=O)Nc1cc2c(c(c1)Br)OCCO2
Chemical ID:
5624791
Name [?]:
N-(7-bromo-2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-9-yl)acetamide
SMILES [?]:
CC(=O)Nc1cc2c(c(c1)Br)OCCO2
InChi [?]:
InChI=1/C10H10BrNO3/c1-6(13)12-7-4-8(11)10-9(5-7)14-2-3-15-10/h4-5H,2-3H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,14,13,10,6,2,5,9,7,8,11,4,3,15,12/rA:15nCCONCCCCCCBrOCCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s8;s12;s13;s7s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10BrNO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.04518
Area:378.596
Solvation:-3.41973
Coulombic:-34.7103
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:272.095
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.69
LogP (Chemaxon):1.48

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