ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7515581

Chemical ID:

7515581

Name [?]:

N-(2-bromophenyl)-3,5-dichloro-4-propoxy-benzamide

SMILES [?]:

CCCOc1c(cc(cc1Cl)C(=O)Nc2ccccc2Br)Cl

InChi [?]:

InChI=1/C16H14BrCl2NO2/c1-2-7-22-15-12(18)8-10(9-13(15)19)16(21)20-14-6-4-3-5-11(14)17/h3-6,8-9H,2,7H2,1H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,2,18,17,19,16,3,7,9,8,20,6,10,15,5,12,21,22,11,14,13,4/E:(8,9)(12,13)(18,19)/rA:22nCCCOCCCCCCClCONCCCCCCBrCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s8;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄BrCl₂NO₂
All Atoms:	36
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	10.9915
Area:	549.116
Solvation:	-2.73636
Coulombic:	-31.2994

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.73
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

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Chemical Mix	Source	External ID	Descriptor	Value