Chemical ID: 4728783

Cc1cc(c(c(c1)Br)N)[N+](=O)[O-]
Chemical ID:
4728783
Name [?]:
2-bromo-4-methyl-6-nitro-aniline
SMILES [?]:
Cc1cc(c(c(c1)Br)N)[N+](=O)[O-]
InChi [?]:
InChI=1/C7H7BrN2O2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,3,2,6,4,5,8,9,10,11,12/E:(11,12)/CRV:10.5/rA:12nCCCCCCCBrNN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s4;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7BrN2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:2.34124
Area:332.384
Solvation:-5.96837
Coulombic:-29.4688
Bond Count [?]
All:12
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:231.047
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.85
LogP (Chemaxon):3.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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