Chemical ID: 4453958

c1cc(cc(c1)[N+](=O)[O-])COC(=O)c2ccc(cc2)F
Chemical ID:
4453958
Name [?]:
(3-nitrophenyl)methyl 4-fluorobenzoate
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])COC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C14H10FNO4/c15-12-6-4-11(5-7-12)14(17)20-9-10-2-1-3-13(8-10)16(18)19/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,19,16,18,4,10,3,14,17,5,12,20,7,13,8,9,11/E:(4,5)(6,7)(18,19)/CRV:16.5/rA:20nCCCCCCN+OO-COCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10FNO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:3.65675
Area:469.056
Solvation:-8.06964
Coulombic:-36.7216
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.232
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.6
LogP (Chemaxon):3.46

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Descriptor Annotations

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