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865071-32-5 | Ethanone, 2-bromo-1-[4-[[4-(1,1-dimethylethyl)phenyl]methoxy]phenyl]-
CAS No: 865071-32-5 Catalog No: AG004VAP MDL No:
Product Description
Catalog Number:
AG004VAP
Chemical Name:
Ethanone, 2-bromo-1-[4-[[4-(1,1-dimethylethyl)phenyl]methoxy]phenyl]-
CAS Number:
865071-32-5
Molecular Formula:
C19H21BrO2
Molecular Weight:
361.2728
IUPAC Name:
2-bromo-1-[4-[(4-tert-butylphenyl)methoxy]phenyl]ethanone
InChI:
InChI=1S/C19H21BrO2/c1-19(2,3)16-8-4-14(5-9-16)13-22-17-10-6-15(7-11-17)18(21)12-20/h4-11H,12-13H2,1-3H3
InChI Key:
SMEKXQANQWLAEL-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)OCc1ccc(cc1)C(C)(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.279g/mol
Monoisotopic Mass:
360.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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