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19978-32-6 | 2H-Pyran-2-one, 3-bromo-
CAS No: 19978-32-6 Catalog No: AG002CBU MDL No:MFCD01318382
Product Description
Catalog Number:
AG002CBU
Chemical Name:
2H-Pyran-2-one, 3-bromo-
CAS Number:
19978-32-6
Molecular Formula:
C5H3BrO2
Molecular Weight:
174.9801
MDL Number:
MFCD01318382
IUPAC Name:
3-bromopyran-2-one
InChI:
InChI=1S/C5H3BrO2/c6-4-2-1-3-8-5(4)7/h1-3H
InChI Key:
UVMFAVNCKFUDRS-UHFFFAOYSA-N
SMILES:
O=c1occcc1Br
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.932g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.981g/mol
Monoisotopic Mass:
173.932g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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