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Chemical ID: 7512737

Chemical ID:

7512737

Name [?]:

N-[(3,4-dimethoxyphenyl)methyl]-3,4-difluoro-aniline

SMILES [?]:

COc1ccc(cc1OC)CNc2ccc(c(c2)F)F

InChi [?]:

InChI=1/C15H15F2NO2/c1-19-14-6-3-10(7-15(14)20-2)9-18-11-4-5-12(16)13(17)8-11/h3-8,18H,9H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,10,5,14,15,4,7,18,11,6,13,16,17,3,8,20,19,12,2,9/rA:20nCOCCCCCCOCCNCCCCCCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;d14;s15;d16;d13s17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₅F₂NO₂
All Atoms:	35
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	5.17499
Area:	463.297
Solvation:	-6.40744
Coulombic:	-33.4336

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:	3.26
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