CC(=O)C1=CC2=C(C=C1)C(=C(C=C2)OC)Br
CAS: 84167-74-8
Name: 1-(5-bromo-6-methoxynaphthalen-2-yl)ethanone
SMILES: CC(=O)C1=CC2=C(C=C1)C(=C(C=C2)OC)Br

Molecular Processing

Molecular formula
C13H11BrO2
Molecular weight
279.13
Exact mass
277.9942
XLogP
3.81
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
68.2

Supplementary Information

InChIKey: KDDYYAXVVDTNND-UHFFFAOYSA-N
Synonyme
84167-74-81-(5-bromo-6-methoxynaphthalen-2-yl)ethan-1-oneDTXSID90347496RefChem:225684DTXCID202985682-ACETYL-5-BROMO-6-METHOXYNAPHTHALENE6-Acetyl-1-bromo-2-methoxynaphthalene1-(5-bromo-6-methoxynaphthalen-2-yl)ethanoneMFCD001008321-(5-Bromo-6-methoxy-2-naphthyl)ethanoneSCHEMBL77362955-bromo-6-methoxy-2-acetylnaphthaleneAKOS004902246AC-90962-Acetyl-5-bromo-6-methoxy-naphthalene5'-Bromo-6'-methoxy-2'-acetonaphthoneAS-30227SY054281DB-020325A1584CS-02049601-(5-Bromo-6-methoxy-2-naphthyl)ethanone #Ethanone, 1-(5-bromo-6-methoxy-2-naphthyl)-AE-641/00011039Ethanone, 1-(5-bromo-6-methoxy-2-naphthalenyl)-F300777
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