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Chemical ID: 4680609
Chemical ID:
4680609
Name [?]:
1-chloro-4-[(2-methylcyclopropylidene)methyl]benzene
SMILES [?]:
CC1CC1=Cc2ccc(cc2)Cl
InChi [?]:
InChI=1/C11H11Cl/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:12cCCCCCCCCCCCCl/rB:s1;s2;s2s3;w4;s5;s6;d7;s8;d9;d6s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11Cl |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.30508 |
Area: | 354.023 |
Solvation: | -0.545494 |
Coulombic: | -3.21823 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 178.658 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.12 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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