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717871-85-7 | 3-Isoxazolecarbonyl chloride, 5-(2-methylpropyl)- (9CI)
CAS No: 717871-85-7 Catalog No: AG0062BB MDL No:
Product Description
Catalog Number:
AG0062BB
Chemical Name:
3-Isoxazolecarbonyl chloride, 5-(2-methylpropyl)- (9CI)
CAS Number:
717871-85-7
Molecular Formula:
C8H10ClNO2
Molecular Weight:
187.6235
IUPAC Name:
5-(2-methylpropyl)-1,2-oxazole-3-carbonyl chloride
InChI:
InChI=1S/C8H10ClNO2/c1-5(2)3-6-4-7(8(9)11)10-12-6/h4-5H,3H2,1-2H3
InChI Key:
MYXJIMBYCOXHNA-UHFFFAOYSA-N
SMILES:
CC(Cc1onc(c1)C(=O)Cl)C
Properties
Complexity:
172
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:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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