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Chemical ID: 6669143
Chemical ID:
6669143
Name [?]:
N-(4-bromophenyl)but-2-enamide
SMILES [?]:
CC=CC(=O)Nc1ccc(cc1)Br
InChi [?]:
InChI=1/C10H10BrNO/c1-2-3-10(13)12-9-6-4-8(11)5-7-9/h2-7H,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,11,8,12,10,7,4,13,6,5/E:(4,5)(6,7)/rA:13nCCCCONCCCCCCBr/rB:s1;w2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10BrNO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55341 |
Area: | 364.842 |
Solvation: | -1.56764 |
Coulombic: | -22.3594 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 240.097 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.89 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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