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Home > Nitro Compounds > 791853-13-9
791853-13-9 | Oxazole, 2-methyl-5-[2-(2-nitro-5-oxazolyl)ethenyl]- (9CI)
CAS No: 791853-13-9 Catalog No: AG00GIRP MDL No:
Product Description
Catalog Number:
AG00GIRP
Chemical Name:
Oxazole, 2-methyl-5-[2-(2-nitro-5-oxazolyl)ethenyl]- (9CI)
CAS Number:
791853-13-9
IUPAC Name:
2-methyl-5-[(E)-2-(2-nitro-1,3-oxazol-5-yl)ethenyl]-1,3-oxazole
InChI:
InChI=1S/C9H7N3O4/c1-6-10-4-7(15-6)2-3-8-5-11-9(16-8)12(13)14/h2-5H,1H3/b3-2+
InChI Key:
PQZWFYZWNPLXBT-NSCUHMNNSA-N
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
221.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.172g/mol
Monoisotopic Mass:
221.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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