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Chemical ID: 6681474
Chemical ID:
6681474
Name [?]:
9-bromoanthracene
SMILES [?]:
c1ccc2c(c1)cc3ccccc3c2Br
InChi [?]:
InChI=1/C14H9Br/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
InChi Info:
AuxInfo=1/0/N:1,10,2,11,6,9,3,12,7,5,8,4,13,14,15/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)/rA:15nCCCCCCCCCCCCCCBr/rB:s1;d2;s3;s4;d1s5;d5;s7;s8;d9;s10;d11;d8s12;d4s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9Br |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.33523 |
Area: | 362.465 |
Solvation: | -0.726407 |
Coulombic: | -3.94449 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 257.125 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.35 |
LogP (Chemaxon): | 4.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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