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31301-45-8 | 3,5-Dimethylisoxazole-4-carbonyl chloride
CAS No: 31301-45-8 Catalog No: AG003IP0 MDL No:MFCD00052555
Product Description
Catalog Number:
AG003IP0
Chemical Name:
3,5-Dimethylisoxazole-4-carbonyl chloride
CAS Number:
31301-45-8
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
MDL Number:
MFCD00052555
IUPAC Name:
3,5-dimethyl-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C6H6ClNO2/c1-3-5(6(7)9)4(2)10-8-3/h1-2H3
InChI Key:
MPYGFFPGJMGVSW-UHFFFAOYSA-N
SMILES:
ClC(=O)c1c(C)noc1C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.569g/mol
Monoisotopic Mass:
159.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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