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825619-50-9 | 1H-Pyrazole-3-carboxylic acid, 4-[(5-chloro-2-methoxybenzoyl)amino]-
CAS No: 825619-50-9 Catalog No: AG004YLN MDL No:
Product Description
Catalog Number:
AG004YLN
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4-[(5-chloro-2-methoxybenzoyl)amino]-
CAS Number:
825619-50-9
Molecular Formula:
C12H10ClN3O4
Molecular Weight:
295.6785
IUPAC Name:
4-[(5-chloro-2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C12H10ClN3O4/c1-20-9-3-2-6(13)4-7(9)11(17)15-8-5-14-16-10(8)12(18)19/h2-5H,1H3,(H,14,16)(H,15,17)(H,18,19)
InChI Key:
GXKVFNSASPHXHI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)Nc1c[nH]nc1C(=O)O)Cl
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.036g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
295.679g/mol
Monoisotopic Mass:
295.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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