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14678-86-5 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2-chlorophenyl)-, ethyl ester
CAS No: 14678-86-5 Catalog No: AG001EC8 MDL No:MFCD02089373
Product Description
Catalog Number:
AG001EC8
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2-chlorophenyl)-, ethyl ester
CAS Number:
14678-86-5
Molecular Formula:
C12H12ClN3O2
Molecular Weight:
265.6956
MDL Number:
MFCD02089373
IUPAC Name:
ethyl 5-amino-1-(2-chlorophenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C12H12ClN3O2/c1-2-18-12(17)8-7-15-16(11(8)14)10-6-4-3-5-9(10)13/h3-7H,2,14H2,1H3
InChI Key:
MYSGEOHNZFEZDQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1N)c1ccccc1Cl
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.697g/mol
Monoisotopic Mass:
265.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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