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80173-69-9 | 3-Isoxazolecarbonyl chloride, 5-(methoxymethyl)-
CAS No: 80173-69-9 Catalog No: AG005O28 MDL No:
Product Description
Catalog Number:
AG005O28
Chemical Name:
3-Isoxazolecarbonyl chloride, 5-(methoxymethyl)-
CAS Number:
80173-69-9
Molecular Formula:
C6H6ClNO3
Molecular Weight:
175.5697
IUPAC Name:
5-(methoxymethyl)-1,2-oxazole-3-carbonyl chloride
InChI:
InChI=1S/C6H6ClNO3/c1-10-3-4-2-5(6(7)9)8-11-4/h2H,3H2,1H3
InChI Key:
OADQXCOFHVUDLB-UHFFFAOYSA-N
SMILES:
COCc1cc(no1)C(=O)Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.568g/mol
Monoisotopic Mass:
175.004g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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