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Chemical ID: 4210937
Chemical ID:
4210937
Name [?]:
5-bromo-N-(2-fluorophenyl)-2-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1C(=O)Nc2ccccc2F)Br
InChi [?]:
InChI=1/C14H11BrFNO2/c1-19-13-7-6-9(15)8-10(13)14(18)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,5,4,7,6,8,17,12,3,9,19,18,11,10,2/rA:19nCOCCCCCCCONCCCCCCFBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s6;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11BrFNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.06124 |
Area: | 445.604 |
Solvation: | -4.07887 |
Coulombic: | -32.8812 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.145 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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