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1152508-77-4 | 1-methyl-3-(4-nitrophenyl)-1H-pyrazole-4-carbaldehyde
CAS No: 1152508-77-4 Catalog No: AG019WTU MDL No:MFCD11180180
Product Description
Catalog Number:
AG019WTU
Chemical Name:
1-methyl-3-(4-nitrophenyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1152508-77-4
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
MDL Number:
MFCD11180180
IUPAC Name:
1-methyl-3-(4-nitrophenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H9N3O3/c1-13-6-9(7-15)11(12-13)8-2-4-10(5-3-8)14(16)17/h2-7H,1H3
InChI Key:
BKLCGAXUHOFAOQ-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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