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Chemical ID: 5095319
Chemical ID:
5095319
Name [?]:
4-(5-bromo-2-methoxy-phenyl)thiazole
SMILES [?]:
COc1ccc(cc1c2cscn2)Br
InChi [?]:
InChI=1/C10H8BrNOS/c1-13-10-3-2-7(11)4-8(10)9-5-14-6-12-9/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,7,10,12,6,8,9,3,14,13,2,11/rA:14nCOCCCCCCCCSCNBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s11;s9d12;s6;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8BrNOS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.47048 |
Area: | 379.033 |
Solvation: | -3.00534 |
Coulombic: | -11.9693 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 270.147 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.58 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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