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Chemical ID: 6674701
Chemical ID:
6674701
Name [?]:
(2,4-dibromophenyl) (3-fluorophenyl)aminoformate
SMILES [?]:
c1cc(cc(c1)F)NC(=O)Oc2ccc(cc2Br)Br
InChi [?]:
InChI=1/C13H8Br2FNO2/c14-8-4-5-12(11(15)6-8)19-13(18)17-10-3-1-2-9(16)7-10/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,6,2,14,13,16,4,15,5,3,17,12,9,19,18,7,8,10,11/rA:19nCCCCCCFNCOOCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8Br2FNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.42153 |
Area: | 459.844 |
Solvation: | -2.07457 |
Coulombic: | -38.2248 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 389.015 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.77 |
LogP (Chemaxon): | 5.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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