Home Other Building Blocks 7-Bromo-4,4-dimethyl-1-tetralone

7-Bromo-4,4-dimethyl-1-tetralone

CAS No.:
166978-46-7
Catalog Number:
AG001X2A
Molecular Formula:
C12H13BrO
Molecular Weight:
253.1350
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$260
- +
1g
95%
1 week
United States
$592
- +
Product Description
Catalog Number:
AG001X2A
Chemical Name:
7-Bromo-4,4-dimethyl-1-tetralone
CAS Number:
166978-46-7
Molecular Formula:
C12H13BrO
Molecular Weight:
253.1350
MDL Number:
MFCD00173777
IUPAC Name:
7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one
InChI:
InChI=1S/C12H13BrO/c1-12(2)6-5-11(14)9-7-8(13)3-4-10(9)12/h3-4,7H,5-6H2,1-2H3
InChI Key:
QZSBQGIPLDEDIX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)CCC2(C)C
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.139g/mol
Monoisotopic Mass:
252.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties