Chemical ID: 4662927

COC(=O)c1ccc(cc1)Br
Chemical ID:
4662927
Name [?]:
methyl 4-bromobenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)Br
InChi [?]:
InChI=1/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,10,7,9,5,8,3,11,4,2/E:(2,3)(4,5)/rA:11nCOCOCCCCCCBr/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7BrO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.83396
Area:329.079
Solvation:-1.39302
Coulombic:-21.0882
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:215.044
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.76
LogP (Chemaxon):2.39

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Descriptor Annotations

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