Chemical ID: 6674623

c1ccc2c(c1)cccc2OC(=O)Nc3ccc(cc3Cl)[N+](=O)[O-]
Chemical ID:
6674623
Name [?]:
1-naphthyl (2-chloro-4-nitro-phenyl)aminoformate
SMILES [?]:
c1ccc2c(c1)cccc2OC(=O)Nc3ccc(cc3Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H11ClN2O4/c18-14-10-12(20(22)23)8-9-15(14)19-17(21)24-16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,17,16,19,5,18,4,20,15,10,12,21,14,22,13,23,24,11/E:(22,23)/CRV:20.5/rA:24nCCCCCCCCCCOCONCCCCCCClN+OO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11ClN2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.38536
Area:529.987
Solvation:-6.86431
Coulombic:-46.7943
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:342.733
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.67
LogP (Chemaxon):5.15

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