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Chlorzoxazone-d3

CAS No.:
1185173-60-7
Catalog Number:
AG008ZT3
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008ZT3
Chemical Name:
Chlorzoxazone-d3
CAS Number:
1185173-60-7
MDL Number:
MFCD08705326
IUPAC Name:
5-chloro-4,6,7-trideuterio-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)/i1D,2D,3D
InChI Key:
TZFWDZFKRBELIQ-CBYSEHNBSA-N
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.012g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
3  
Molecular Weight:
172.582g/mol
Monoisotopic Mass:
172.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties