CAS: 166978-46-7
名称: 7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one
SMILES:
CC1(CCC(=O)C2=C1C=CC(=C2)Br)CMolecular Processing
Molecular formula
C12H13BrO
Molecular weight
253.14
Exact mass
252.015
XLogP
3.7
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
60.73
Supplementary Information
InChIKey: QZSBQGIPLDEDIX-UHFFFAOYSA-N
同義語
7-bromo-4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-oneRefChem:545794839-253-4166978-46-77-BROMO-4,4-DIMETHYL-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE7-Bromo-4,4-dimethyl-1-tetralone7-BROMO-4,4-DIMETHYL-3,4-DIHYDRO-2H-NAPHTHALEN-1-ONEMFCD073573781(2H)-Naphthalenone, 7-bromo-3,4-dihydro-4,4-dimethyl-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one7-Bromo-3,4-dihydro-4,4-dimethylnaphthalen-1(2H)-one7-Bromo-4,4-dimethyl-1-oxo-1,2,3,4-tetrahydronaphthalene7-Bromo-3,4-dihydro-4,4-dimethylnaphthalen-1(2H)-one; 7-Bromo-4,4-dimethyl-1-oxo-1,2,3,4-tetrahydronaphthalene; 7-Bromo-4,4-dimethyl-3,4-dihydronaphthalen-1-one;7-bromo-4,4-dimethyl-tetralin-1-one1,2,3,4-tetrahydro-4,4-dimethyl-1-oxo-7-bromo-naphthaleneSCHEMBL445935SCHEMBL30279114DTXSID80444448QZSBQGIPLDEDIX-UHFFFAOYSA-N4,4-Dimethyl-7-bromo-1-tetraloneAKOS015948217FB19135NS-03795SY162445DB-064628CS-0093967EN300-176532AS-871/43475689F3028737-bromo-3,4-dihydro-4,4-dimethylnaphthalen-1-one
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