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Chemical ID: 5871066

Chemical ID:

5871066

Name [?]:

diethyl 2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate

SMILES [?]:

CCOC(=O)C1(CC1c2ccc(cc2)Cl)C(=O)OCC

InChi [?]:

InChI=1/C15H17ClO4/c1-3-19-13(17)15(14(18)20-4-2)9-12(15)10-5-7-11(16)8-6-10/h5-8,12H,3-4,9H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,2,19,10,14,11,13,7,9,12,8,4,16,6,15,5,17,3,18/E:(1,2)(3,4)(5,6)(7,8)(13,14)(17,18)(19,20)/rA:20cCCOCOCCCCCCCCCClCOOCC/rB:s1;s2;s3;d4;s4;s6;s6s7;s8;s9;d10;s11;d12;d9s13;s12;s6;d16;s16;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₇ClO₄
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	9.47731
Area:	488.595
Solvation:	-2.73757
Coulombic:	-38.2122

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	296.746
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.78
LogP (Chemaxon):	3.23

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