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951889-08-0 | 2-Bromo-4'-tert-Butylbenzophenone
CAS No: 951889-08-0 Catalog No: AG01EZT4 MDL No:
Product Description
Catalog Number:
AG01EZT4
Chemical Name:
2-Bromo-4'-tert-Butylbenzophenone
CAS Number:
951889-08-0
Molecular Formula:
C17H17BrO
Molecular Weight:
317.2203
IUPAC Name:
(2-bromophenyl)-(4-tert-butylphenyl)methanone
InChI:
InChI=1S/C17H17BrO/c1-17(2,3)13-10-8-12(9-11-13)16(19)14-6-4-5-7-15(14)18/h4-11H,1-3H3
InChI Key:
CTGNTZJXOMWGQZ-UHFFFAOYSA-N
SMILES:
Brc1ccccc1C(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.226g/mol
Monoisotopic Mass:
316.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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