Chemical ID: 7258257

Cc1ccccc1NC(=O)c2ccc(c(c2)[N+](=O)[O-])Br
Chemical ID:
7258257
Name [?]:
4-bromo-3-nitro-N-(o-tolyl)benzamide
SMILES [?]:
Cc1ccccc1NC(=O)c2ccc(c(c2)[N+](=O)[O-])Br
InChi [?]:
InChI=1/C14H11BrN2O3/c1-9-4-2-3-5-12(9)16-14(18)10-6-7-11(15)13(8-10)17(19)20/h2-8H,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,12,13,16,2,11,14,7,15,9,20,8,17,10,18,19/E:(19,20)/CRV:17.5/rA:20nCCCCCCCNCOCCCCCCN+OO-Br/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;d17;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11BrN2O3
All Atoms:31
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:3.87873
Area:464.781
Solvation:-7.7408
Coulombic:-32.2835
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:335.153
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.79
LogP (Chemaxon):3.67

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