Chemical ID: 6427067

CC(C)Oc1ccc(cc1N)[N+](=O)[O-]
Chemical ID:
6427067
Name [?]:
2-isopropoxy-5-nitro-aniline
SMILES [?]:
CC(C)Oc1ccc(cc1N)[N+](=O)[O-]
InChi [?]:
InChI=1/C9H12N2O3/c1-6(2)14-9-4-3-7(11(12)13)5-8(9)10/h3-6H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,6,9,2,8,10,5,11,12,13,14,4/E:(1,2)(12,13)/CRV:11.5/rA:14nCCCOCCCCCCNN+OO-/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s8;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N2O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:1.7176
Area:368.338
Solvation:-7.49086
Coulombic:-34.8212
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:196.203
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.77
LogP (Chemaxon):1.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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