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Chemical ID: 6677780
Chemical ID:
6677780
Name [?]:
3-chloro-2-methyl-1-phenyl-propan-1-one
SMILES [?]:
CC(CCl)C(=O)c1ccccc1
InChi [?]:
InChI=1/C10H11ClO/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,8,12,3,2,7,5,4,6/E:(3,4)(5,6)/rA:12cCCCClCOCCCCCC/rB:s1;s2;s3;s2;d5;s5;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11ClO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.30531 |
Area: | 354.748 |
Solvation: | -1.5634 |
Coulombic: | -10.3155 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 182.646 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.75 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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