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Chemical ID: 6690260
Chemical ID:
6690260
Name [?]:
1-(4-chlorophenyl)but-3-en-1-ol
SMILES [?]:
C=CCC(c1ccc(cc1)Cl)O
InChi [?]:
InChI=1/C10H11ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h2,4-7,10,12H,1,3H2
InChi Info:
AuxInfo=1/0/N:1,2,3,6,10,7,9,5,8,4,11,12/E:(4,5)(6,7)/rA:12cCCCCCCCCCCClO/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s4;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11ClO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.32428 |
Area: | 363.079 |
Solvation: | -1.7527 |
Coulombic: | -20.6971 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 182.646 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.92 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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