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136995-27-2 | 4-Isoxazolecarbonyl chloride, 5-(1,1-dimethylethyl)- (9CI)
CAS No: 136995-27-2 Catalog No: AG00AIJI MDL No:
Product Description
Catalog Number:
AG00AIJI
Chemical Name:
4-Isoxazolecarbonyl chloride, 5-(1,1-dimethylethyl)- (9CI)
CAS Number:
136995-27-2
IUPAC Name:
5-tert-butyl-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C8H10ClNO2/c1-8(2,3)6-5(7(9)11)4-10-12-6/h4H,1-3H3
InChI Key:
RXLCZHLDCUQQNU-UHFFFAOYSA-N
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.623g/mol
Monoisotopic Mass:
187.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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