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Home > Bromides > 1379325-64-0
1379325-64-0 | Ethanone, 1-(3-bromo-5-methylphenyl)-
CAS No: 1379325-64-0 Catalog No: AG001459 MDL No:MFCD18905445
Product Description
Catalog Number:
AG001459
Chemical Name:
Ethanone, 1-(3-bromo-5-methylphenyl)-
CAS Number:
1379325-64-0
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
MDL Number:
MFCD18905445
IUPAC Name:
1-(3-bromo-5-methylphenyl)ethanone
InChI:
InChI=1S/C9H9BrO/c1-6-3-8(7(2)11)5-9(10)4-6/h3-5H,1-2H3
InChI Key:
QDCCNYXYTIETKO-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)cc(c1)C(=O)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.074g/mol
Monoisotopic Mass:
211.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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