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Home > Nitro Compounds > 1354924-07-4
1354924-07-4 | 3-(3-methyl-4-nitrophenyl)-1,2-oxazol-5-ol
CAS No: 1354924-07-4 Catalog No: AG00JSSI MDL No:MFCD21335020
Product Description
Catalog Number:
AG00JSSI
Chemical Name:
3-(3-methyl-4-nitrophenyl)-1,2-oxazol-5-ol
CAS Number:
1354924-07-4
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD21335020
IUPAC Name:
3-(3-methyl-4-nitrophenyl)-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C10H8N2O4/c1-6-4-7(2-3-9(6)12(14)15)8-5-10(13)16-11-8/h2-5,11H,1H3
InChI Key:
JCKLTLAVDATBRM-UHFFFAOYSA-N
SMILES:
Oc1onc(c1)c1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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