Chemical ID: 6681684

CCOC(=O)C(C)(C)Br
Chemical ID:
6681684
Name [?]:
ethyl 2-bromo-2-methyl-propanoate
SMILES [?]:
CCOC(=O)C(C)(C)Br
InChi [?]:
InChI=1/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,8,2,4,6,9,5,3/E:(2,3)/rA:9nCCOCOCCCBr/rB:s1;s2;s3;d4;s4;s6;s6;s6;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H11BrO2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:6.43311
Area:309.48
Solvation:-1.30389
Coulombic:-19.6858
Bond Count [?]
All:8
Single:7
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:195.054
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.73
LogP (Chemaxon):1.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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