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1245104-57-7 | 1H-Furo[2,3-c]pyrazole-3-carboxylic acid, 1-(3,4-dichlorophenyl)-4,5-dihydro-
CAS No: 1245104-57-7 Catalog No: AG000M4K MDL No:
Product Description
Catalog Number:
AG000M4K
Chemical Name:
1H-Furo[2,3-c]pyrazole-3-carboxylic acid, 1-(3,4-dichlorophenyl)-4,5-dihydro-
CAS Number:
1245104-57-7
Molecular Formula:
C12H8Cl2N2O3
Molecular Weight:
299.1095
IUPAC Name:
1-(3,4-dichlorophenyl)-4,5-dihydrofuro[2,3-c]pyrazole-3-carboxylic acid
InChI:
InChI=1S/C12H8Cl2N2O3/c13-8-2-1-6(5-9(8)14)16-11-7(3-4-19-11)10(15-16)12(17)18/h1-2,5H,3-4H2,(H,17,18)
InChI Key:
GPWICZSASUIDGJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c2c1CCO2)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.991g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.107g/mol
Monoisotopic Mass:
297.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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