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89570-49-0 | Oxazole, trichloro-
CAS No: 89570-49-0 Catalog No: AG003Z9I MDL No:
Product Description
Catalog Number:
AG003Z9I
Chemical Name:
Oxazole, trichloro-
CAS Number:
89570-49-0
Molecular Formula:
C3Cl3NO
Molecular Weight:
172.3972
IUPAC Name:
2,4,5-trichloro-1,3-oxazole
InChI:
InChI=1S/C3Cl3NO/c4-1-2(5)8-3(6)7-1
InChI Key:
FJFUFOZWRAHFOP-UHFFFAOYSA-N
SMILES:
Clc1oc(c(n1)Cl)Cl
Properties
Complexity:
90.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.905g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.389g/mol
Monoisotopic Mass:
170.905g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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