Chemical ID: 6681742

c1ccc2c(c1)cc(c3c2cccc3)Br
Chemical ID:
6681742
Name [?]:
9-bromophenanthrene
SMILES [?]:
c1ccc2c(c1)cc(c3c2cccc3)Br
InChi [?]:
InChI=1/C14H9Br/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,12,13,6,3,11,14,7,5,4,10,9,8,15/rA:15nCCCCCCCCCCCCCCBr/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s9d13;s8;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9Br
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.31635
Area:363.566
Solvation:-0.7728
Coulombic:-3.82922
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue