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101531-22-0 | Ethanone, 1-[2-(2-bromoethyl)phenyl]-
CAS No: 101531-22-0 Catalog No: AG0004QF MDL No:
Product Description
Catalog Number:
AG0004QF
Chemical Name:
Ethanone, 1-[2-(2-bromoethyl)phenyl]-
CAS Number:
101531-22-0
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
IUPAC Name:
1-[2-(2-bromoethyl)phenyl]ethanone
InChI:
InChI=1S/C10H11BrO/c1-8(12)10-5-3-2-4-9(10)6-7-11/h2-5H,6-7H2,1H3
InChI Key:
OLPNXIWXCFQQRX-UHFFFAOYSA-N
SMILES:
BrCCc1ccccc1C(=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:
225.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.101g/mol
Monoisotopic Mass:
225.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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