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170865-18-6 | 4-Isoxazolecarbonylchloride,5-cyano-3-(1-methylethyl)-(9CI)
CAS No: 170865-18-6 Catalog No: AG00B425 MDL No:
Product Description
Catalog Number:
AG00B425
Chemical Name:
4-Isoxazolecarbonylchloride,5-cyano-3-(1-methylethyl)-(9CI)
CAS Number:
170865-18-6
IUPAC Name:
5-cyano-3-propan-2-yl-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C8H7ClN2O2/c1-4(2)7-6(8(9)12)5(3-10)13-11-7/h4H,1-2H3
InChI Key:
ILJSCVZTQUBQFB-UHFFFAOYSA-N
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.606g/mol
Monoisotopic Mass:
198.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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