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Chemical ID: 6049100
Chemical ID:
6049100
Name [?]:
1-amino-2-(3,4-difluorophenyl)-ethanone oxime
SMILES [?]:
c1cc(c(cc1CC(=NO)N)F)F
InChi [?]:
InChI=1/C8H8F2N2O/c9-6-2-1-5(3-7(6)10)4-8(11)12-13/h1-3,13H,4H2,(H2,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,7,6,3,4,8,13,12,11,9,10/rA:13nCCCCCCCCNONFF/rB:s1;d2;s3;d4;d1s5;s6;s7;w8;s9;s8;s4;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8F2N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.7244 |
Area: | 328.466 |
Solvation: | -3.48724 |
Coulombic: | -37.1358 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 186.159 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.6 |
LogP (Chemaxon): | 1.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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