Chemical ID: 6663200

CC(C)(C(=O)OC)Br
Chemical ID:
6663200
Name [?]:
methyl 2-bromo-2-methyl-propanoate
SMILES [?]:
CC(C)(C(=O)OC)Br
InChi [?]:
InChI=1/C5H9BrO2/c1-5(2,6)4(7)8-3/h1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,2,8,5,6/E:(1,2)/rA:8nCCCCOOCBr/rB:s1;s2;s2;d4;s4;s6;s2;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C5H9BrO2
All Atoms:8
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:5.61873
Area:281.622
Solvation:-1.42182
Coulombic:-19.3806
Bond Count [?]
All:7
Single:6
Double:1
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:181.028
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.31
LogP (Chemaxon):1.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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