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53064-56-5 | 5-Isopropyl-3-isoxazolecarbonyl chloride
CAS No: 53064-56-5 Catalog No: AG00DLZ4 MDL No:MFCD12028422
Product Description
Catalog Number:
AG00DLZ4
Chemical Name:
5-Isopropyl-3-isoxazolecarbonyl chloride
CAS Number:
53064-56-5
Molecular Formula:
C7H8ClNO2
Molecular Weight:
173.5969
MDL Number:
MFCD12028422
IUPAC Name:
5-propan-2-yl-1,2-oxazole-3-carbonyl chloride
InChI:
InChI=1S/C7H8ClNO2/c1-4(2)6-3-5(7(8)10)9-11-6/h3-4H,1-2H3
InChI Key:
GZPWGHHYNHDGKH-UHFFFAOYSA-N
SMILES:
CC(c1onc(c1)C(=O)Cl)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.024g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.596g/mol
Monoisotopic Mass:
173.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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