Chemical ID: 4922937

c1ccc(cc1)[P+](CC=CCBr)(c2ccccc2)c3ccccc3
Chemical ID:
4922937
Name [?]:
4-bromobut-2-enyl-triphenyl-phosphonium
SMILES [?]:
c1ccc(cc1)[P+](CC=CCBr)(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C22H21BrP/c23-18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-17H,18-19H2/q+1
InChi Info:
AuxInfo=1/0/N:1,16,22,2,6,15,17,21,23,10,9,3,5,14,18,20,24,11,8,4,13,19,12,7/E:(1,2,3)(4,5,6,7,8,9)(12,13,14,15,16,17)(20,21,22)/CRV:24+1/rA:24nCCCCCCP+CCCCBrCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;w9;s10;s11;s7;s13;d14;s15;d16;d13s17;s7;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21BrP+
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-9.73546
Area:553.321
Solvation:-23.5685
Coulombic:17.0031
Bond Count [?]
All:26
Single:16
Double:10
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:396.28
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:7.26
LogP (Chemaxon):6.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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