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Chemical ID: 7154862
Chemical ID:
7154862
Name [?]:
[2-[(2,4-dichlorophenyl)methoxy]phenyl]methanol
SMILES [?]:
c1ccc(c(c1)CO)OCc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C14H12Cl2O2/c15-12-6-5-11(13(16)7-12)9-18-14-4-2-1-3-10(14)8-17/h1-7,17H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,13,15,7,10,5,11,14,16,4,18,17,8,9/rA:18nCCCCCCCOOCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s4;s9;s10;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12Cl2O2 |
All Atoms: | 30 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38246 |
Area: | 469.514 |
Solvation: | -2.3554 |
Coulombic: | -28.1337 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 283.149 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.08 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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