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74072-45-0 | Ethanone, 1-[4-(3-bromo-1-methylpropyl)phenyl]-
CAS No: 74072-45-0 Catalog No: AG005HMT MDL No:
Product Description
Catalog Number:
AG005HMT
Chemical Name:
Ethanone, 1-[4-(3-bromo-1-methylpropyl)phenyl]-
CAS Number:
74072-45-0
Molecular Formula:
C12H15BrO
Molecular Weight:
255.1509
IUPAC Name:
1-[4-(4-bromobutan-2-yl)phenyl]ethanone
InChI:
InChI=1S/C12H15BrO/c1-9(7-8-13)11-3-5-12(6-4-11)10(2)14/h3-6,9H,7-8H2,1-2H3
InChI Key:
TVXKYGLFYZOMSB-UHFFFAOYSA-N
SMILES:
BrCCC(c1ccc(cc1)C(=O)C)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.155g/mol
Monoisotopic Mass:
254.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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