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75522-04-2 | 2-Propanone, 1-bromo-3-methoxy-
CAS No: 75522-04-2 Catalog No: AG005K5W MDL No:
Product Description
Catalog Number:
AG005K5W
Chemical Name:
2-Propanone, 1-bromo-3-methoxy-
CAS Number:
75522-04-2
Molecular Formula:
C4H7BrO2
Molecular Weight:
167.0012
IUPAC Name:
1-bromo-3-methoxypropan-2-one
InChI:
InChI=1S/C4H7BrO2/c1-7-3-4(6)2-5/h2-3H2,1H3
InChI Key:
JLDBOILDSLEJHT-UHFFFAOYSA-N
SMILES:
COCC(=O)CBr
Properties
Complexity:
62.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.963g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.002g/mol
Monoisotopic Mass:
165.963g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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