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17408-11-6 | 1(2H)-Naphthalenone, 2-bromo-3,4-dihydro-4,4-dimethyl-2-(phenylmethyl)-
CAS No: 17408-11-6 Catalog No: AG001ZG0 MDL No:
Product Description
Catalog Number:
AG001ZG0
Chemical Name:
1(2H)-Naphthalenone, 2-bromo-3,4-dihydro-4,4-dimethyl-2-(phenylmethyl)-
CAS Number:
17408-11-6
Molecular Formula:
C19H19BrO
Molecular Weight:
343.2576
IUPAC Name:
2-benzyl-2-bromo-4,4-dimethyl-3H-naphthalen-1-one
InChI:
InChI=1S/C19H19BrO/c1-18(2)13-19(20,12-14-8-4-3-5-9-14)17(21)15-10-6-7-11-16(15)18/h3-11H,12-13H2,1-2H3
InChI Key:
RQUFVADUAKLTFG-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(CC1(Br)Cc1ccccc1)(C)C
NSC Number:
150116
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.264g/mol
Monoisotopic Mass:
342.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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