Chemical ID: 4121139

c1cc(c(cc1CCC(=O)O)F)F
Chemical ID:
4121139
Name [?]:
3-(3,4-difluorophenyl)propanoic acid
SMILES [?]:
c1cc(c(cc1CCC(=O)O)F)F
InChi [?]:
InChI=1/C9H8F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,7,2,8,5,6,3,4,9,13,12,10,11/E:(12,13)/rA:13nCCCCCCCCCOOFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s4;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8F2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.77991
Area:337.271
Solvation:-3.65187
Coulombic:-33.5072
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:186.155
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.94
LogP (Chemaxon):2.35

Name Annotations

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Descriptor Annotations

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