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90415-81-9 | 5-Isobutyl-3-methylisoxazole-4-carbonyl chloride
CAS No: 90415-81-9 Catalog No: AG006E0E MDL No:MFCD13174470
Product Description
Catalog Number:
AG006E0E
Chemical Name:
5-Isobutyl-3-methylisoxazole-4-carbonyl chloride
CAS Number:
90415-81-9
Molecular Formula:
C9H12ClNO2
Molecular Weight:
201.6501
MDL Number:
MFCD13174470
IUPAC Name:
3-methyl-5-(2-methylpropyl)-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C9H12ClNO2/c1-5(2)4-7-8(9(10)12)6(3)11-13-7/h5H,4H2,1-3H3
InChI Key:
MYCHSOALTKVPFI-UHFFFAOYSA-N
SMILES:
CC(Cc1onc(c1C(=O)Cl)C)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.65g/mol
Monoisotopic Mass:
201.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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