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876316-47-1

876316-47-1 | 1H-Pyrazole-3-carbonylchloride, 5-(2-furanyl)-1-methyl-

CAS No: 876316-47-1 Catalog No: AG004ONS MDL No:MFCD08271946

Product Description

Catalog Number:
AG004ONS
Chemical Name:
1H-Pyrazole-3-carbonylchloride, 5-(2-furanyl)-1-methyl-
CAS Number:
876316-47-1
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
MDL Number:
MFCD08271946
IUPAC Name:
5-(furan-2-yl)-1-methylpyrazole-3-carbonyl chloride
InChI:
InChI=1S/C9H7ClN2O2/c1-12-7(8-3-2-4-14-8)5-6(11-12)9(10)13/h2-5H,1H3
InChI Key:
RAYIOTXFHIKMIE-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1c1ccco1)C(=O)Cl

Properties

Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.617g/mol
Monoisotopic Mass:
210.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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