Chemical ID: 4605572

COC(=O)c1ccc(o1)CBr
Chemical ID:
4605572
Name [?]:
methyl 5-(bromomethyl)furan-2-carboxylate
SMILES [?]:
COC(=O)c1ccc(o1)CBr
InChi [?]:
InChI=1/C7H7BrO3/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3H,4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,10,8,5,3,11,4,2,9/rA:11nCOCOCCCCOCBr/rB:s1;s2;d3;s3;d5;s6;d7;s5s8;s8;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7BrO3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.83609
Area:335.649
Solvation:-2.55512
Coulombic:-27.7797
Bond Count [?]
All:11
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.033
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.47
LogP (Chemaxon):0.98

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Experimental Annotations

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Descriptor Annotations

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