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75705-99-6

75705-99-6 | 4-Isoxazolecarbonyl chloride, 5-propyl-

CAS No: 75705-99-6 Catalog No: AG005AHT MDL No:

Product Description

Catalog Number:
AG005AHT
Chemical Name:
4-Isoxazolecarbonyl chloride, 5-propyl-
CAS Number:
75705-99-6
Molecular Formula:
C7H8ClNO2
Molecular Weight:
173.5969
IUPAC Name:
5-propyl-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C7H8ClNO2/c1-2-3-6-5(7(8)10)4-9-11-6/h4H,2-3H2,1H3
InChI Key:
PVOAUAGSWWTCGQ-UHFFFAOYSA-N
SMILES:
CCCc1oncc1C(=O)Cl

Properties

Complexity:
151  
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:
3  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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