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Chemical ID: 4950734
Chemical ID:
4950734
Name [?]:
2-chloro-2-methyl-1-phenyl-propan-1-one
SMILES [?]:
CC(C)(C(=O)c1ccccc1)Cl
InChi [?]:
InChI=1/C10H11ClO/c1-10(2,11)9(12)8-6-4-3-5-7-8/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,8,10,7,11,6,4,2,12,5/E:(1,2)(4,5)(6,7)/rA:12nCCCCOCCCCCCCl/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;d6s10;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11ClO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.1267 |
Area: | 336.148 |
Solvation: | -1.277 |
Coulombic: | -11.4704 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 182.646 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.59 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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