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84553-24-2 | 1,3-Butanedione, 1-(4-bromophenyl)-2-chloro-
CAS No: 84553-24-2 Catalog No: AG004VGY MDL No:
Product Description
Catalog Number:
AG004VGY
Chemical Name:
1,3-Butanedione, 1-(4-bromophenyl)-2-chloro-
CAS Number:
84553-24-2
Molecular Formula:
C10H8BrClO2
Molecular Weight:
275.5263
IUPAC Name:
1-(4-bromophenyl)-2-chlorobutane-1,3-dione
InChI:
InChI=1S/C10H8BrClO2/c1-6(13)9(12)10(14)7-2-4-8(11)5-3-7/h2-5,9H,1H3
InChI Key:
AGAWBLXJPCLACQ-UHFFFAOYSA-N
SMILES:
ClC(C(=O)c1ccc(cc1)Br)C(=O)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.94g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.526g/mol
Monoisotopic Mass:
273.94g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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