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Chemical ID: 4736785
Chemical ID:
4736785
Name [?]:
9,10-dibromoanthracene
SMILES [?]:
c1ccc2c(c1)c(c3ccccc3c2Br)Br
InChi [?]:
InChI=1/C14H8Br2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,10,11,6,3,9,12,5,4,8,13,7,14,16,15/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)/rA:16nCCCCCCCCCCCCCCBrBr/rB:s1;d2;s3;s4;d1s5;d5;s7;s8;d9;s10;d11;d8s12;d4s13;s14;s7;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8Br2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.10914 |
Area: | 385.561 |
Solvation: | -0.529874 |
Coulombic: | -4.01634 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 336.021 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.15 |
LogP (Chemaxon): | 5.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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