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Chemical ID: 4591066

Chemical ID:

4591066

Name [?]:

butoxycarbonylmethyl 2-(2,4-dichlorophenoxy)propanoate

SMILES [?]:

CCCCOC(=O)COC(=O)C(C)Oc1ccc(cc1Cl)Cl

InChi [?]:

InChI=1/C15H18Cl2O5/c1-3-4-7-20-14(18)9-21-15(19)10(2)22-13-6-5-11(16)8-12(13)17/h5-6,8,10H,3-4,7,9H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,13,2,3,17,16,4,19,8,12,18,20,15,6,10,22,21,7,11,5,9,14/rA:22cCCCCOCOCOCOCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₈Cl₂O₅
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	10.3873
Area:	587.12
Solvation:	-4.29069
Coulombic:	-47.6658

Bond Count [?]

All:	22
Single:	17
Double:	5
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	349.206
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.46
LogP (Chemaxon):	3.72

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value