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Home > Nitro Compounds > 1315368-54-7
1315368-54-7 | 2-(4-nitrophenyl)-5-(propan-2-yl)-1,3-oxazole
CAS No: 1315368-54-7 Catalog No: AG01AJG6 MDL No:MFCD19382286
Product Description
Catalog Number:
AG01AJG6
Chemical Name:
2-(4-nitrophenyl)-5-(propan-2-yl)-1,3-oxazole
CAS Number:
1315368-54-7
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD19382286
IUPAC Name:
2-(4-nitrophenyl)-5-propan-2-yl-1,3-oxazole
InChI:
InChI=1S/C12H12N2O3/c1-8(2)11-7-13-12(17-11)9-3-5-10(6-4-9)14(15)16/h3-8H,1-2H3
InChI Key:
PHIVFTGTDDTQRN-UHFFFAOYSA-N
SMILES:
CC(c1cnc(o1)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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