Chemical ID: 5871278

COC(=O)c1ccc(cc1)c2ccc(cc2)Cl
Chemical ID:
5871278
Name [?]:
methyl 4-(4-chlorophenyl)benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H11ClO2/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,9,6,10,12,16,13,15,8,11,5,14,3,17,4,2/E:(2,3)(4,5)(6,7)(8,9)/rA:17nCOCOCCCCCCCCCCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11ClO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.1669
Area:437.697
Solvation:-1.77552
Coulombic:-22.9021
Bond Count [?]
All:18
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:246.689
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.52
LogP (Chemaxon):3.8

Name Annotations

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Descriptor Annotations

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