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90415-80-8 | 4-Isoxazolecarbonylchloride, 5-butyl-3-methyl-
CAS No: 90415-80-8 Catalog No: AG00IG4T MDL No:
Product Description
Catalog Number:
AG00IG4T
Chemical Name:
4-Isoxazolecarbonylchloride, 5-butyl-3-methyl-
CAS Number:
90415-80-8
IUPAC Name:
5-butyl-3-methyl-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C9H12ClNO2/c1-3-4-5-7-8(9(10)12)6(2)11-13-7/h3-5H2,1-2H3
InChI Key:
YLYCSOXMKVJEEW-UHFFFAOYSA-N
Properties
Complexity:
187
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:
4
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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