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Home > Nitro Compounds > 2060035-27-8
2060035-27-8 | 5-(4-nitrophenyl)-3-(propan-2-yl)-1,2-oxazole
CAS No: 2060035-27-8 Catalog No: AG01BOIA MDL No:MFCD30499159
Product Description
Catalog Number:
AG01BOIA
Chemical Name:
5-(4-nitrophenyl)-3-(propan-2-yl)-1,2-oxazole
CAS Number:
2060035-27-8
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD30499159
IUPAC Name:
5-(4-nitrophenyl)-3-propan-2-yl-1,2-oxazole
InChI:
InChI=1S/C12H12N2O3/c1-8(2)11-7-12(17-13-11)9-3-5-10(6-4-9)14(15)16/h3-8H,1-2H3
InChI Key:
RNDPXRQFSCAUCG-UHFFFAOYSA-N
SMILES:
CC(c1noc(c1)c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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