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Home > Nitro Compounds > 198821-78-2
198821-78-2 | Oxazole, 5-(2-methoxy-4-nitrophenyl)-
CAS No: 198821-78-2 Catalog No: AG002BRG MDL No:MFCD08445620
Product Description
Catalog Number:
AG002BRG
Chemical Name:
Oxazole, 5-(2-methoxy-4-nitrophenyl)-
CAS Number:
198821-78-2
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD08445620
IUPAC Name:
5-(2-methoxy-4-nitrophenyl)-1,3-oxazole
InChI:
InChI=1S/C10H8N2O4/c1-15-9-4-7(12(13)14)2-3-8(9)10-5-11-6-16-10/h2-6H,1H3
InChI Key:
AOIXGUQZJVAHKJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1c1cnco1)[N+](=O)[O-]
Properties
Complexity:
256
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:
0
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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