Chemical ID: 4167203

COC(=O)Cc1ccc(cc1)F
Chemical ID:
4167203
Name [?]:
methyl 2-(4-fluorophenyl)acetate
SMILES [?]:
COC(=O)Cc1ccc(cc1)F
InChi [?]:
InChI=1/C9H9FO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,11,8,10,5,6,9,3,12,4,2/E:(2,3)(4,5)/rA:12nCOCOCCCCCCCF/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9FO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.25773
Area:325.795
Solvation:-2.88715
Coulombic:-22.2875
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:168.165
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.93
LogP (Chemaxon):1.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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