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88918-38-1 | 2(3H)-Isoxazolecarbonyl chloride, 4-bromo-5-(chloromethyl)-3-oxo-
CAS No: 88918-38-1 Catalog No: AG00494M MDL No:
Product Description
Catalog Number:
AG00494M
Chemical Name:
2(3H)-Isoxazolecarbonyl chloride, 4-bromo-5-(chloromethyl)-3-oxo-
CAS Number:
88918-38-1
Molecular Formula:
C5H2BrCl2NO3
Molecular Weight:
274.8843
IUPAC Name:
4-bromo-5-(chloromethyl)-3-oxo-1,2-oxazole-2-carbonyl chloride
InChI:
InChI=1S/C5H2BrCl2NO3/c6-3-2(1-7)12-9(4(3)10)5(8)11/h1H2
InChI Key:
WXRHJLIFWKYVQE-UHFFFAOYSA-N
SMILES:
ClCc1on(c(=O)c1Br)C(=O)Cl
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.86g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.879g/mol
Monoisotopic Mass:
272.86g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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