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Chemical ID: 7245463
Chemical ID:
7245463
Name [?]:
[4-(difluoromethoxy)-3-methoxy-phenyl]methanamine
SMILES [?]:
COc1cc(ccc1OC(F)F)CN
InChi [?]:
InChI=1/C9H11F2NO2/c1-13-8-4-6(5-12)2-3-7(8)14-9(10)11/h2-4,9H,5,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,4,13,5,8,3,10,11,12,14,2,9/E:(10,11)/rA:14nCOCCCCCCOCFFCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s10;s5;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11F2NO2 |
All Atoms: | 25 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.30372 |
Area: | 347.461 |
Solvation: | -4.38282 |
Coulombic: | -39.1169 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 203.186 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.42 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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