Chemical ID: 4260876

Cc1c(cccc1[N+](=O)[O-])N
Chemical ID:
4260876
Name [?]:
2-methyl-3-nitro-aniline
SMILES [?]:
Cc1c(cccc1[N+](=O)[O-])N
InChi [?]:
InChI=1/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,6,2,3,7,11,8,9,10/E:(10,11)/CRV:9.5/rA:11nCCCCCCCN+OO-N/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s3;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8N2O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:1.64131
Area:300.523
Solvation:-5.87176
Coulombic:-29.0397
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:152.151
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.2
LogP (Chemaxon):1.68

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue