Chemical ID: 5162379

c1cc(ccc1COc2ccc(cc2Cl)[N+](=O)[O-])C(=O)O
Chemical ID:
5162379
Name [?]:
4-[(2-chloro-4-nitro-phenoxy)methyl]benzoic acid
SMILES [?]:
c1cc(ccc1COc2ccc(cc2Cl)[N+](=O)[O-])C(=O)O
InChi [?]:
InChI=1/C14H10ClNO5/c15-12-7-11(16(19)20)5-6-13(12)21-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,10,13,7,6,3,12,14,9,19,15,16,20,21,17,18,8/E:(1,2)(3,4)(17,18)(19,20)/CRV:16.5/rA:21nCCCCCCCOCCCCCCClN+OO-COO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;d16;s16;s3;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10ClNO5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:3.44224
Area:504.607
Solvation:-9.17293
Coulombic:-46.228
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:307.686
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.65
LogP (Chemaxon):3.56

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