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88918-36-9 | 2(3H)-Isoxazolecarbonylchloride, 5-(chloromethyl)-3-oxo-
CAS No: 88918-36-9 Catalog No: AG00488S MDL No:
Product Description
Catalog Number:
AG00488S
Chemical Name:
2(3H)-Isoxazolecarbonylchloride, 5-(chloromethyl)-3-oxo-
CAS Number:
88918-36-9
Molecular Formula:
C5H3Cl2NO3
Molecular Weight:
195.9882
IUPAC Name:
5-(chloromethyl)-3-oxo-1,2-oxazole-2-carbonyl chloride
InChI:
InChI=1S/C5H3Cl2NO3/c6-2-3-1-4(9)8(11-3)5(7)10/h1H,2H2
InChI Key:
WMQQCFSHXGRBDV-UHFFFAOYSA-N
SMILES:
ClCc1on(c(=O)c1)C(=O)Cl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.983g/mol
Monoisotopic Mass:
194.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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