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Chemical ID: 4949453
Chemical ID:
4949453
Name [?]:
2-chloro-6-phenyl-phenol
SMILES [?]:
c1ccc(cc1)c2cccc(c2O)Cl
InChi [?]:
InChI=1/C12H9ClO/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,14H
InChi Info:
AuxInfo=1/0/N:1,2,6,9,3,5,8,10,4,7,11,12,14,13/E:(2,3)(5,6)/rA:14nCCCCCCCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9ClO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.61324 |
Area: | 366.659 |
Solvation: | -1.55323 |
Coulombic: | -19.7491 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 204.652 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.18 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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