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Home > Nitro Compounds > 53949-10-3
53949-10-3 | 3-(4-nitrophenyl)-1,2-oxazol-5-ol
CAS No: 53949-10-3 Catalog No: AG00JSSA MDL No:MFCD21334986
Product Description
Catalog Number:
AG00JSSA
Chemical Name:
3-(4-nitrophenyl)-1,2-oxazol-5-ol
CAS Number:
53949-10-3
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
MDL Number:
MFCD21334986
IUPAC Name:
3-(4-nitrophenyl)-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C9H6N2O4/c12-9-5-8(10-15-9)6-1-3-7(4-2-6)11(13)14/h1-5,10H
InChI Key:
RPHPBUPJAHBWNY-UHFFFAOYSA-N
SMILES:
Oc1onc(c1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.033g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.157g/mol
Monoisotopic Mass:
206.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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