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Chemical ID: 6674520
Chemical ID:
6674520
Name [?]:
1-bromo-4-styryl-benzene
SMILES [?]:
c1ccc(cc1)C=Cc2ccc(cc2)Br
InChi [?]:
InChI=1/C14H11Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,8,10,14,11,13,4,9,12,15/E:(2,3)(4,5)(8,9)(10,11)/rA:15nCCCCCCCCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Br |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.66218 |
Area: | 376.488 |
Solvation: | -0.750035 |
Coulombic: | -4.65289 |
Bond Count [?]
All: | 16 |
Single: | 9 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 259.141 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.45 |
LogP (Chemaxon): | 5.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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