Chemical ID: 4680608

CC1CC1=Cc2ccc(cc2)Br
Chemical ID:
4680608
Name [?]:
1-bromo-4-[(2-methylcyclopropylidene)methyl]benzene
SMILES [?]:
CC1CC1=Cc2ccc(cc2)Br
InChi [?]:
InChI=1/C11H11Br/c1-8-6-10(8)7-9-2-4-11(12)5-3-9/h2-5,7-8H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,11,8,10,3,5,2,6,4,9,12/E:(2,3)(4,5)/rA:12cCCCCCCCCCCCBr/rB:s1;s2;s2s3;w4;s5;s6;d7;s8;d9;d6s10;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11Br
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:8.22206
Area:349.54
Solvation:-0.51645
Coulombic:-2.89655
Bond Count [?]
All:13
Single:9
Double:4
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:223.109
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.3
LogP (Chemaxon):3.82

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