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Chemical ID: 4232920
Chemical ID:
4232920
Name [?]:
(2,4-dichlorophenyl)-(4-methoxyphenyl)-methanone
SMILES [?]:
COc1ccc(cc1)C(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C14H10Cl2O2/c1-18-11-5-2-9(3-6-11)14(17)12-7-4-10(15)8-13(12)16/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,13,4,8,12,15,6,14,3,11,16,9,18,17,10,2/E:(2,3)(5,6)/rA:18nCOCCCCCCCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.36283 |
Area: | 454.783 |
Solvation: | -3.00674 |
Coulombic: | -17.9947 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.133 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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