Chemical ID: 7243792

c1c(c(cc2c1OCCO2)Br)CCl
Chemical ID:
7243792
Name [?]:
9-bromo-8-(chloromethyl)-2,5-dioxabicyclo[4.4.0]deca-6,8,10-triene
SMILES [?]:
c1c(c(cc2c1OCCO2)Br)CCl
InChi [?]:
InChI=1/C9H8BrClO2/c10-7-4-9-8(3-6(7)5-11)12-1-2-13-9/h3-4H,1-2,5H2
InChi Info:
AuxInfo=1/0/N:8,9,1,4,12,2,3,6,5,11,13,7,10/rA:13nCCCCCCOCCOBrCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s5s9;s3;s2;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8BrClO2
All Atoms:21
Heavy Atoms:13
Chiral Atoms:None
ZAP Information [?]
Total:6.51078
Area:358.412
Solvation:-2.44952
Coulombic:-16.934
Bond Count [?]
All:14
Single:11
Double:3
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.9
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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