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175136-57-9 | Ethanone, 2-bromo-1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-
CAS No: 175136-57-9 Catalog No: AG00209U MDL No:MFCD00052015
Product Description
Catalog Number:
AG00209U
Chemical Name:
Ethanone, 2-bromo-1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-
CAS Number:
175136-57-9
Molecular Formula:
C18H25BrO
Molecular Weight:
337.2945
MDL Number:
MFCD00052015
IUPAC Name:
2-bromo-1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
InChI:
InChI=1S/C18H25BrO/c1-6-12-9-14-15(10-13(12)16(20)11-19)18(4,5)8-7-17(14,2)3/h9-10H,6-8,11H2,1-5H3
InChI Key:
BBHJYKJAWKZSHS-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cc2c(cc1CC)C(C)(C)CCC2(C)C
NSC Number:
80093
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.109g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.301g/mol
Monoisotopic Mass:
336.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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