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Chemical ID: 4239475
Chemical ID:
4239475
Name [?]:
[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
SMILES [?]:
c1cc(ccc1COc2c(cc(cc2Cl)CO)Cl)F
InChi [?]:
InChI=1/C14H11Cl2FO2/c15-12-5-10(7-18)6-13(16)14(12)19-8-9-1-3-11(17)4-2-9/h1-6,18H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,11,13,16,7,6,12,3,10,14,9,18,15,19,17,8/E:(1,2)(3,4)(5,6)(12,13)(15,16)/rA:19nCCCCCCCOCCCCCCClCOClF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;s16;s10;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl2FO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.53487 |
Area: | 467.491 |
Solvation: | -4.1524 |
Coulombic: | -30.5662 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 301.14 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.24 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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