Chemical ID: 4620510

c1cc(c(cc1Cl)[N+](=O)[O-])OCc2ccc(o2)C(=O)O
Chemical ID:
4620510
Name [?]:
5-[(4-chloro-2-nitro-phenoxy)methyl]furan-2-carboxylic acid
SMILES [?]:
c1cc(c(cc1Cl)[N+](=O)[O-])OCc2ccc(o2)C(=O)O
InChi [?]:
InChI=1/C12H8ClNO6/c13-7-1-3-10(9(5-7)14(17)18)19-6-8-2-4-11(20-8)12(15)16/h1-5H,6H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,14,2,15,5,12,6,13,4,3,16,18,7,8,19,20,9,10,11,17/E:(15,16)(17,18)/CRV:14.5/rA:20nCCCCCCClN+OO-OCCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s3;s11;s12;d13;s14;d15;s13s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8ClNO6
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:0.741118
Area:484.557
Solvation:-11.3728
Coulombic:-52.2668
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:297.648
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.36
LogP (Chemaxon):2.27

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Descriptor Annotations

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