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1190006-20-2 | 1,3-Dibromoacetone-2-13C
CAS No: 1190006-20-2 Catalog No: AG000P10 MDL No:
Product Description
Catalog Number:
AG000P10
Chemical Name:
1,3-Dibromoacetone-2-13C
CAS Number:
1190006-20-2
Molecular Formula:
C3H4Br2O
Molecular Weight:
216.8639
IUPAC Name:
1,3-dibromo(213C)propan-2-one
InChI:
InChI=1S/C3H4Br2O/c4-1-3(6)2-5/h1-2H2/i3+1
InChI Key:
LQQKDSXCDXHLLF-LBPDFUHNSA-N
SMILES:
BrC[13C](=O)CBr
Properties
Complexity:
46.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.864g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
1
Molecular Weight:
216.864g/mol
Monoisotopic Mass:
214.866g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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