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Chemical ID: 6642636
Chemical ID:
6642636
Name [?]:
N-(3-bromo-2-methyl-phenyl)acetamide
SMILES [?]:
Cc1c(cccc1Br)NC(=O)C
InChi [?]:
InChI=1/C9H10BrNO/c1-6-8(10)4-3-5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,12,5,6,4,2,10,7,3,8,9,11/rA:12nCCCCCCCBrNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10BrNO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.78513 |
Area: | 339.087 |
Solvation: | -1.69203 |
Coulombic: | -19.9017 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 228.086 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.3 |
LogP (Chemaxon): | 1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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