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1578-18-3 | 2-Propanone, 1,1-dibromo-3-chloro-
CAS No: 1578-18-3 Catalog No: AG001PQ6 MDL No:
Product Description
Catalog Number:
AG001PQ6
Chemical Name:
2-Propanone, 1,1-dibromo-3-chloro-
CAS Number:
1578-18-3
Molecular Formula:
C3H3Br2ClO
Molecular Weight:
250.3163
IUPAC Name:
1,1-dibromo-3-chloropropan-2-one
InChI:
InChI=1S/C3H3Br2ClO/c4-3(5)2(7)1-6/h3H,1H2
InChI Key:
GNWZITBRPXAMSE-UHFFFAOYSA-N
SMILES:
ClCC(=O)C(Br)Br
Properties
Complexity:
73.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.822g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.314g/mol
Monoisotopic Mass:
247.824g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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