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Chemical ID: 7166830
Chemical ID:
7166830
Name [?]:
methyl 2-[5-bromo-2-(difluoromethoxy)benzoyl]aminoacetate
SMILES [?]:
COC(=O)CNC(=O)c1cc(ccc1OC(F)F)Br
InChi [?]:
InChI=1/C11H10BrF2NO4/c1-18-9(16)5-15-10(17)7-4-6(12)2-3-8(7)19-11(13)14/h2-4,11H,5H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,12,13,10,5,11,9,14,3,7,16,19,17,18,6,4,8,2,15/E:(13,14)/rA:19nCOCOCNCOCCCCCCOCFFBr/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;s16;s16;s11;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10BrF2NO4 |
All Atoms: | 29 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.91125 |
Area: | 454.782 |
Solvation: | -4.4583 |
Coulombic: | -59.1411 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.56 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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