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827300-11-8 | 1,3-Dioxolan-2-one, 4-bromo-5-methyl-
CAS No: 827300-11-8 Catalog No: AG004VU8 MDL No:
Product Description
Catalog Number:
AG004VU8
Chemical Name:
1,3-Dioxolan-2-one, 4-bromo-5-methyl-
CAS Number:
827300-11-8
Molecular Formula:
C4H5BrO3
Molecular Weight:
180.9847
IUPAC Name:
4-bromo-5-methyl-1,3-dioxolan-2-one
InChI:
InChI=1S/C4H5BrO3/c1-2-3(5)8-4(6)7-2/h2-3H,1H3
InChI Key:
UCDPSMXXZQJIAN-UHFFFAOYSA-N
SMILES:
O=C1OC(C(O1)C)Br
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.942g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.985g/mol
Monoisotopic Mass:
179.942g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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