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Chemical ID: 6676176
Chemical ID:
6676176
Name [?]:
4-bromo-N-[(4-bromophenyl)iminomethyl]aniline
SMILES [?]:
c1cc(ccc1NC=Nc2ccc(cc2)Br)Br
InChi [?]:
InChI=1/C13H10Br2N2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-9H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:2,4,12,14,1,5,11,15,8,3,13,6,10,17,16,7,9/E:(1,2,3,4)(5,6,7,8)(10,11)(12,13)(14,15)(16,17)/rA:17nCCCCCCNCNCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s6;s7;w8;s9;s10;d11;s12;d13;d10s14;s13;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10Br2N2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74543 |
Area: | 447.0 |
Solvation: | -1.42958 |
Coulombic: | -18.1588 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 354.04 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.56 |
LogP (Chemaxon): | 5.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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