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14678-90-1 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-chlorophenyl)-
CAS No: 14678-90-1 Catalog No: AG001EC6 MDL No:MFCD00973906
Product Description
Catalog Number:
AG001EC6
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-chlorophenyl)-
CAS Number:
14678-90-1
Molecular Formula:
C10H8ClN3O2
Molecular Weight:
237.6424
MDL Number:
MFCD00973906
IUPAC Name:
5-amino-1-(4-chlorophenyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H8ClN3O2/c11-6-1-3-7(4-2-6)14-9(12)8(5-13-14)10(15)16/h1-5H,12H2,(H,15,16)
InChI Key:
CDLPWFKSJDWMSQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1ncc(c1N)C(=O)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.643g/mol
Monoisotopic Mass:
237.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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