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1578-16-1 | 2-Propanone, 3-bromo-1,1-dichloro-
CAS No: 1578-16-1 Catalog No: AG001PQ7 MDL No:
Product Description
Catalog Number:
AG001PQ7
Chemical Name:
2-Propanone, 3-bromo-1,1-dichloro-
CAS Number:
1578-16-1
Molecular Formula:
C3H3BrCl2O
Molecular Weight:
205.8653
IUPAC Name:
3-bromo-1,1-dichloropropan-2-one
InChI:
InChI=1S/C3H3BrCl2O/c4-1-2(7)3(5)6/h3H,1H2
InChI Key:
FIYVYLXUXMBTHU-UHFFFAOYSA-N
SMILES:
BrCC(=O)C(Cl)Cl
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:
203.874g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.86g/mol
Monoisotopic Mass:
203.874g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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