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13306-83-7 | 1H-Inden-1-one, 2-bromo-2,3-dihydro-3,3-dimethyl-2-(phenylmethyl)-
CAS No: 13306-83-7 Catalog No: AG001466 MDL No:
Product Description
Catalog Number:
AG001466
Chemical Name:
1H-Inden-1-one, 2-bromo-2,3-dihydro-3,3-dimethyl-2-(phenylmethyl)-
CAS Number:
13306-83-7
Molecular Formula:
C18H17BrO
Molecular Weight:
329.2310
IUPAC Name:
2-benzyl-2-bromo-3,3-dimethylinden-1-one
InChI:
InChI=1S/C18H17BrO/c1-17(2)15-11-7-6-10-14(15)16(20)18(17,19)12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3
InChI Key:
IBZBRWLTMMGQFE-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(C1(Br)Cc1ccccc1)(C)C
NSC Number:
150118
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.237g/mol
Monoisotopic Mass:
328.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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