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1397219-57-6 | ethyl 5-amino-1-(3-chlorobenzyl)-1H-pyrazole-4-carboxylate
CAS No: 1397219-57-6 Catalog No: AG01FMJ7 MDL No:MFCD01202735
Product Description
Catalog Number:
AG01FMJ7
Chemical Name:
ethyl 5-amino-1-(3-chlorobenzyl)-1H-pyrazole-4-carboxylate
CAS Number:
1397219-57-6
Molecular Formula:
C13H14ClN3O2
Molecular Weight:
279.7222
MDL Number:
MFCD01202735
IUPAC Name:
ethyl 5-amino-1-[(3-chlorophenyl)methyl]pyrazole-4-carboxylate
InChI:
InChI=1S/C13H14ClN3O2/c1-2-19-13(18)11-7-16-17(12(11)15)8-9-4-3-5-10(14)6-9/h3-7H,2,8,15H2,1H3
InChI Key:
OKMQOULDFMUWHO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1N)Cc1cccc(c1)Cl
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.724g/mol
Monoisotopic Mass:
279.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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