Chemical ID: 5757675

c1cc(oc1CBr)[N+](=O)[O-]
Chemical ID:
5757675
Name [?]:
2-(bromomethyl)-5-nitro-furan
SMILES [?]:
c1cc(oc1CBr)[N+](=O)[O-]
InChi [?]:
InChI=1/C5H4BrNO3/c6-3-4-1-2-5(10-4)7(8)9/h1-2H,3H2
InChi Info:
AuxInfo=1/0/N:1,2,6,5,3,7,8,9,10,4/E:(8,9)/CRV:7.5/rA:10nCCCOCCBrN+OO-/rB:s1;d2;s3;d1s4;s5;s6;s3;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H4BrNO3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:-0.16549
Area:308.9
Solvation:-7.888
Coulombic:-21.3708
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:205.994
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.46
LogP (Chemaxon):1.57

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Experimental Annotations

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Descriptor Annotations

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