Chemical ID: 6677780

CC(CCl)C(=O)c1ccccc1
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

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Descriptor Annotations

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