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Home > Aldehydes > 885274-46-4
885274-46-4 | 2-(3-Methyl-4-nitrophenyl)oxazole-4-carbaldehyde
CAS No: 885274-46-4 Catalog No: AG0047KN MDL No:MFCD06738637
Product Description
Catalog Number:
AG0047KN
Chemical Name:
2-(3-Methyl-4-nitrophenyl)oxazole-4-carbaldehyde
CAS Number:
885274-46-4
Molecular Formula:
C11H8N2O4
Molecular Weight:
232.1922
MDL Number:
MFCD06738637
IUPAC Name:
2-(3-methyl-4-nitrophenyl)-1,3-oxazole-4-carbaldehyde
InChI:
InChI=1S/C11H8N2O4/c1-7-4-8(2-3-10(7)13(15)16)11-12-9(5-14)6-17-11/h2-6H,1H3
InChI Key:
MBWREJUWQSAKCM-UHFFFAOYSA-N
SMILES:
O=Cc1coc(n1)c1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.195g/mol
Monoisotopic Mass:
232.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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