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Chemical ID: 7243792
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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