Chemical ID: 7087567

Cc1ccc(cc1)CCBr
Chemical ID:
7087567
Name [?]:
1-(2-bromoethyl)-4-methyl-benzene
SMILES [?]:
Cc1ccc(cc1)CCBr
InChi [?]:
InChI=1/C9H11Br/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,8,9,2,5,10/E:(2,3)(4,5)/rA:10nCCCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11Br
All Atoms:21
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:7.42053
Area:323.047
Solvation:-0.655645
Coulombic:-2.24884
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:199.088
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.62
LogP (Chemaxon):3.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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