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Chemical ID: 4728783
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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