Chemical ID: 6683374

c1ccc(cc1)C(=O)CCCl
Chemical ID:
6683374
Name [?]:
3-chloro-1-phenyl-propan-1-one
SMILES [?]:
c1ccc(cc1)C(=O)CCCl
InChi [?]:
InChI=1/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,9,10,4,7,11,8/E:(2,3)(4,5)/rA:11nCCCCCCCOCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9ClO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.85311
Area:341.579
Solvation:-1.68637
Coulombic:-9.65358
Bond Count [?]
All:11
Single:7
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:168.62
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.46
LogP (Chemaxon):2.13

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Experimental Annotations

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Descriptor Annotations

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