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Home > Aldehydes > 114362-54-8
114362-54-8 | 1H-Pyrazole-4-carboxaldehyde, 5-azido-3-methyl-1-phenyl-
CAS No: 114362-54-8 Catalog No: AG000B5H MDL No:
Product Description
Catalog Number:
AG000B5H
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 5-azido-3-methyl-1-phenyl-
CAS Number:
114362-54-8
Molecular Formula:
C11H9N5O
Molecular Weight:
227.2221
IUPAC Name:
5-azido-3-methyl-1-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H9N5O/c1-8-10(7-17)11(13-15-12)16(14-8)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
ZQOFITOIEXSOOD-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1c(C=O)c(nn1c1ccccc1)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.227g/mol
Monoisotopic Mass:
227.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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