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1751-16-2 | 2-Propanone, 1-bromo-1,1-dichloro-
CAS No: 1751-16-2 Catalog No: AG002053 MDL No:
Product Description
Catalog Number:
AG002053
Chemical Name:
2-Propanone, 1-bromo-1,1-dichloro-
CAS Number:
1751-16-2
Molecular Formula:
C3H3BrCl2O
Molecular Weight:
205.8653
IUPAC Name:
1-bromo-1,1-dichloropropan-2-one
InChI:
InChI=1S/C3H3BrCl2O/c1-2(7)3(4,5)6/h1H3
InChI Key:
AZXDRUXVONQDAS-UHFFFAOYSA-N
SMILES:
CC(=O)C(Br)(Cl)Cl
Properties
Complexity:
90.9
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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