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Home > Aldehydes > 2091446-87-4
2091446-87-4 | 1-ethyl-3-(1,3-thiazol-2-yl)-1H-pyrazole-5-carbaldehyde
CAS No: 2091446-87-4 Catalog No: AG01BSQF MDL No:MFCD30538865
Product Description
Catalog Number:
AG01BSQF
Chemical Name:
1-ethyl-3-(1,3-thiazol-2-yl)-1H-pyrazole-5-carbaldehyde
CAS Number:
2091446-87-4
Molecular Formula:
C9H9N3OS
Molecular Weight:
207.2523
MDL Number:
MFCD30538865
IUPAC Name:
2-ethyl-5-(1,3-thiazol-2-yl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C9H9N3OS/c1-2-12-7(6-13)5-8(11-12)9-10-3-4-14-9/h3-6H,2H2,1H3
InChI Key:
PIAAUAJTFRGQKZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(nn1CC)c1nccs1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.251g/mol
Monoisotopic Mass:
207.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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