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132885-82-6 | Methanone, (3-bromophenyl)[4-(1,1-dimethylethyl)phenyl]-
CAS No: 132885-82-6 Catalog No: AG0011BS MDL No:MFCD06201461
Product Description
Catalog Number:
AG0011BS
Chemical Name:
Methanone, (3-bromophenyl)[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
132885-82-6
Molecular Formula:
C17H17BrO
Molecular Weight:
317.2203
MDL Number:
MFCD06201461
IUPAC Name:
(3-bromophenyl)-(4-tert-butylphenyl)methanone
InChI:
InChI=1S/C17H17BrO/c1-17(2,3)14-9-7-12(8-10-14)16(19)13-5-4-6-15(18)11-13/h4-11H,1-3H3
InChI Key:
VDVQICJMVFYCKD-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=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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