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Home > Bromides > 1380089-33-7
1380089-33-7 | 5-Isoxazolemethanol, 4-bromo-3-methyl-, 5-acetate
CAS No: 1380089-33-7 Catalog No: AG0017TG MDL No:MFCD24387374
Product Description
Catalog Number:
AG0017TG
Chemical Name:
5-Isoxazolemethanol, 4-bromo-3-methyl-, 5-acetate
CAS Number:
1380089-33-7
Molecular Formula:
C7H8BrNO3
Molecular Weight:
234.0473
MDL Number:
MFCD24387374
IUPAC Name:
(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl acetate
InChI:
InChI=1S/C7H8BrNO3/c1-4-7(8)6(12-9-4)3-11-5(2)10/h3H2,1-2H3
InChI Key:
USGKSLUGKUUZSM-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1onc(c1Br)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.969g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.049g/mol
Monoisotopic Mass:
232.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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