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856938-77-7

856938-77-7 | 4-(3-NITROPHENYL)-2(3H)-THIAZOLONE

CAS No: 856938-77-7 Catalog No: AG00GM5R MDL No:

Product Description

Catalog Number:
AG00GM5R
Chemical Name:
4-(3-NITROPHENYL)-2(3H)-THIAZOLONE
CAS Number:
856938-77-7
IUPAC Name:
4-(3-nitrophenyl)-3H-1,3-thiazol-2-one
InChI:
InChI=1S/C9H6N2O3S/c12-9-10-8(5-15-9)6-2-1-3-7(4-6)11(13)14/h1-5H,(H,10,12)
InChI Key:
OXCPEFDPGKSSFV-UHFFFAOYSA-N

Properties

Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.01g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.218g/mol
Monoisotopic Mass:
222.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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