Chemical ID: 4973415

CC(=O)C(C)(c1ccc(cc1)Cl)c2ccc(cc2)Cl
Chemical ID:
4973415
Name [?]:
3,3-bis(4-chlorophenyl)butan-2-one
SMILES [?]:
CC(=O)C(C)(c1ccc(cc1)Cl)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H14Cl2O/c1-11(19)16(2,12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,7,11,14,18,8,10,15,17,2,6,13,9,16,4,12,19,3/E:(3,4,5,6)(7,8,9,10)(12,13)(14,15)(17,18)/rA:19nCCOCCCCCCCCClCCCCCCCl/rB:s1;d2;s2;s4;s4;s6;d7;s8;d9;d6s10;s9;s4;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14Cl2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.75781
Area:466.844
Solvation:-1.91328
Coulombic:-11.4942
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:293.187
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.33
LogP (Chemaxon):5.79

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Descriptor Annotations

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