Chemical ID: 5258394

COC(=O)c1cc(ccc1Br)[NH3+]
Chemical ID:
5258394
Name [?]:
(4-bromo-3-methoxycarbonyl-phenyl)ammonium
SMILES [?]:
COC(=O)c1cc(ccc1Br)[NH3+]
InChi [?]:
InChI=1/C8H8BrNO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,8,9,6,7,5,10,3,11,12,4,2/rA:12nCOCOCCCCCCBrN+/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s7;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9BrNO2+
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-34.0383
Area:337.332
Solvation:-42.4716
Coulombic:27.2172
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:231.067
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.94
LogP (Chemaxon):1.6

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Descriptor Annotations

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