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Chemical ID: 7509152

Chemical ID:

7509152

Name [?]:

3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-4-fluoro-aniline

SMILES [?]:

COc1cc(cc(c1)OC)CNc2ccc(c(c2)Cl)F

InChi [?]:

InChI=1/C15H15ClFNO2/c1-19-12-5-10(6-13(8-12)20-2)9-18-11-3-4-15(17)14(16)7-11/h3-8,18H,9H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,10,14,15,4,6,18,8,11,5,13,3,7,17,16,19,20,12,2,9/E:(1,2)(5,6)(12,13)(19,20)/rA:20nCOCCCCCCOCCNCCCCCCClF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;s12;s13;d14;s15;d16;d13s17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₅ClFNO₂
All Atoms:	35
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	7.47884
Area:	486.509
Solvation:	-4.68389
Coulombic:	-30.313

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.99
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value