Chemical ID: 4662359

CCOC(=O)C(C)Br
Chemical ID:
4662359
Name [?]:
ethyl 2-bromopropanoate
SMILES [?]:
CCOC(=O)C(C)Br
InChi [?]:
InChI=1/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,4,8,5,3/rA:8cCCOCOCCBr/rB:s1;s2;s3;d4;s4;s6;s6;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C5H9BrO2
All Atoms:8
Heavy Atoms:8
Chiral Atoms:1
ZAP Information [?]
Total:5.88786
Area:294.124
Solvation:-1.46523
Coulombic:-18.8552
Bond Count [?]
All:7
Single:6
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:181.028
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.53
LogP (Chemaxon):1.4

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Experimental Annotations

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Descriptor Annotations

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