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1245080-11-8 | 1H-Furo[2,3-c]pyrazole-3-carboxylic acid, 1-(3,4-dichlorophenyl)-4,5-dihydro-, ethyl ester
CAS No: 1245080-11-8 Catalog No: AG000M4P MDL No:
Product Description
Catalog Number:
AG000M4P
Chemical Name:
1H-Furo[2,3-c]pyrazole-3-carboxylic acid, 1-(3,4-dichlorophenyl)-4,5-dihydro-, ethyl ester
CAS Number:
1245080-11-8
Molecular Formula:
C14H12Cl2N2O3
Molecular Weight:
327.1627
IUPAC Name:
ethyl 1-(3,4-dichlorophenyl)-4,5-dihydrofuro[2,3-c]pyrazole-3-carboxylate
InChI:
InChI=1S/C14H12Cl2N2O3/c1-2-20-14(19)12-9-5-6-21-13(9)18(17-12)8-3-4-10(15)11(16)7-8/h3-4,7H,2,5-6H2,1H3
InChI Key:
YNTGCTHUCKGIEK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c2c1CCO2)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.022g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.161g/mol
Monoisotopic Mass:
326.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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