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Chemical ID: 7968256
Chemical ID:
7968256
Name [?]:
4-(6-bromo-2-pyridyl)benzaldehyde
SMILES [?]:
c1cc(nc(c1)Br)c2ccc(cc2)C=O
InChi [?]:
InChI=1/C12H8BrNO/c13-12-3-1-2-11(14-12)10-6-4-9(8-15)5-7-10/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,10,12,9,13,14,11,8,3,5,7,4,15/E:(4,5)(6,7)/rA:15nCCCNCCBrCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;d8s12;s11;d14;/rC:-.0167,1.3825,.0096;1.1911,2.0603,.0018;2.3773,1.3301,-.0135;2.3528,.0031,-.0208;1.2182,-.6666,-.0136;.0021,-.0041,.002;1.2507,-2.5573,-.0247;3.6782,2.0414,-.0221;3.7096,3.4364,-.0091;4.9158,4.0987,-.0176;6.1118,3.372,-.0386;6.0779,1.9728,-.0511;4.8694,1.3147,-.0374;7.4022,4.0775,-.0482;8.4379,3.447,-.0664;
Chemical Details
Atom Count
Formula: | C10H13BrN2O2 |
All Atoms: | 23 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.18387 |
Area: | 392.385 |
Solvation: | -2.62576 |
Coulombic: | -14.0941 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 262.102 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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