Chemical ID: 5871227

COC(=O)c1cc(c[nH]1)Br
Chemical ID:
5871227
Name [?]:
methyl 4-bromo-1H-pyrrole-2-carboxylate
SMILES [?]:
COC(=O)c1cc(c[nH]1)Br
InChi [?]:
InChI=1/C6H6BrNO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,8,7,5,3,10,9,4,2/rA:10nCOCOCCCCNBr/rB:s1;s2;d3;s3;d5;s6;d7;s5s8;s7;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6BrNO2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.25799
Area:311.427
Solvation:-1.52768
Coulombic:-31.455
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.021
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.48
LogP (Chemaxon):1.16

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Descriptor Annotations

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