Chemical ID: 6572701

c1ccc(c(c1)C(=O)OCC(=O)NC2CC2)Br
Chemical ID:
6572701
Name [?]:
cyclopropylcarbamoylmethyl 2-bromobenzoate
SMILES [?]:
c1ccc(c(c1)C(=O)OCC(=O)NC2CC2)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H12BrNO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.2422
Area:445.664
Solvation:-2.89941
Coulombic:-41.2956
Bond Count [?]
All:18
Single:13
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:298.133
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.47
LogP (Chemaxon):1.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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