200,000+ products from a single source!
sales@angenechem.com
166978-46-7 | 1(2H)-Naphthalenone, 7-bromo-3,4-dihydro-4,4-dimethyl-
CAS No: 166978-46-7 Catalog No: AG001X2A MDL No:MFCD07357378
Product Description
Catalog Number:
AG001X2A
Chemical Name:
1(2H)-Naphthalenone, 7-bromo-3,4-dihydro-4,4-dimethyl-
CAS Number:
166978-46-7
Molecular Formula:
C12H13BrO
Molecular Weight:
253.1350
MDL Number:
MFCD07357378
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.