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Chemical ID: 4432440
Chemical ID:
4432440
Name [?]:
[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
SMILES [?]:
c1cc(ccc1COc2ccc(cc2Cl)CO)F
InChi [?]:
InChI=1/C14H12ClFO2/c15-13-7-11(8-17)3-6-14(13)18-9-10-1-4-12(16)5-2-10/h1-7,17H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,5,11,2,4,10,13,16,7,6,12,3,14,9,15,18,17,8/E:(1,2)(4,5)/rA:18nCCCCCCCOCCCCCCClCOF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12ClFO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.73169 |
Area: | 450.419 |
Solvation: | -4.5288 |
Coulombic: | -29.8309 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 266.695 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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