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Home > Aldehydes > 2092746-03-5
2092746-03-5 | 3-(5-chlorofuran-2-yl)-1H-pyrazole-4-carbaldehyde
CAS No: 2092746-03-5 Catalog No: AG01DSVB MDL No:MFCD31629598
Product Description
Catalog Number:
AG01DSVB
Chemical Name:
3-(5-chlorofuran-2-yl)-1H-pyrazole-4-carbaldehyde
CAS Number:
2092746-03-5
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD31629598
IUPAC Name:
5-(5-chlorofuran-2-yl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C8H5ClN2O2/c9-7-2-1-6(13-7)8-5(4-12)3-10-11-8/h1-4H,(H,10,11)
InChI Key:
NFMRQRLKOJXBOP-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1ccc(o1)Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.59g/mol
Monoisotopic Mass:
196.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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