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1253791-51-3 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2-chlorophenyl)-, ethyl ester, hydrochloride (1:1)
CAS No: 1253791-51-3 Catalog No: AG000NKO MDL No:MFCD17215084
Product Description
Catalog Number:
AG000NKO
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2-chlorophenyl)-, ethyl ester, hydrochloride (1:1)
CAS Number:
1253791-51-3
Molecular Formula:
C12H13Cl2N3O2
Molecular Weight:
302.1565
MDL Number:
MFCD17215084
IUPAC Name:
ethyl 5-amino-1-(2-chlorophenyl)pyrazole-4-carboxylate;hydrochloride
InChI:
InChI=1S/C12H12ClN3O2.ClH/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;1H
InChI Key:
YPFNQAWVMMGKBQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1N)c1ccccc1Cl.Cl
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.038g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.155g/mol
Monoisotopic Mass:
301.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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