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Chemical ID: 7154860
Chemical ID:
7154860
Name [?]:
[3-[(2-chlorophenyl)methoxy]phenyl]methanol
SMILES [?]:
c1ccc(c(c1)COc2cccc(c2)CO)Cl
InChi [?]:
InChI=1/C14H13ClO2/c15-14-7-2-1-5-12(14)10-17-13-6-3-4-11(8-13)9-16/h1-8,16H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,11,12,6,10,3,14,15,7,13,5,9,4,17,16,8/rA:17nCCCCCCCOCCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13ClO2 |
All Atoms: | 30 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.92044 |
Area: | 439.68 |
Solvation: | -3.07155 |
Coulombic: | -27.2743 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 248.705 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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