Chemical ID: 5215254

CNc1ccc(cc1C(=O)OC)[N+](=O)[O-]
Chemical ID:
5215254
Name [?]:
methyl 2-methylamino-5-nitro-benzoate
SMILES [?]:
CNc1ccc(cc1C(=O)OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C9H10N2O4/c1-10-8-4-3-6(11(13)14)5-7(8)9(12)15-2/h3-5,10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,5,4,7,6,8,3,9,2,13,10,14,15,11/E:(13,14)/CRV:11.5/rA:15nCNCCCCCCCOOCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s6;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N2O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:2.27443
Area:384.067
Solvation:-7.32726
Coulombic:-41.5427
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:210.187
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.8
LogP (Chemaxon):1.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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