Chemical ID: 4082975

COC(=O)c1ccc2c(c1)CN(C2)c3ccc(cc3)Br
Chemical ID:
4082975
Name [?]:
methyl 2-(4-bromophenyl)isoindoline-5-carboxylate
SMILES [?]:
COC(=O)c1ccc2c(c1)CN(C2)c3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H14BrNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.45927
Area:475.112
Solvation:-2.41853
Coulombic:-27.797
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:332.192
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.36
LogP (Chemaxon):4.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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