Chemical ID: 3968294

COc1ccc(cc1)C(=O)CBr
Chemical ID:
3968294
Name [?]:
2-bromo-1-(4-methoxyphenyl)-ethanone
SMILES [?]:
COc1ccc(cc1)C(=O)CBr
InChi [?]:
InChI=1/C9H9BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,11,6,3,9,12,10,2/E:(2,3)(4,5)/rA:12nCOCCCCCCCOCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9BrO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.18561
Area:345.662
Solvation:-3.45594
Coulombic:-14.8275
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:229.071
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.35
LogP (Chemaxon):1.76

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