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Chemical ID: 6525128
Chemical ID:
6525128
Name [?]:
3-fluoro-N-(2-hydroxyethyl)benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)NCCO
InChi [?]:
InChI=1/C9H10FNO2/c10-8-3-1-2-7(6-8)9(13)11-4-5-12/h1-3,6,12H,4-5H2,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,12,4,3,5,8,7,10,13,9/rA:13nCCCCCCFCONCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10FNO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.16944 |
Area: | 351.025 |
Solvation: | -3.60619 |
Coulombic: | -42.0197 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 183.18 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.88 |
LogP (Chemaxon): | 0.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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