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918405-21-7 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2,4-difluorophenyl)-
CAS No: 918405-21-7 Catalog No: AG006G0W MDL No:MFCD03407405
Product Description
Catalog Number:
AG006G0W
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2,4-difluorophenyl)-
CAS Number:
918405-21-7
Molecular Formula:
C10H7F2N3O2
Molecular Weight:
239.1783
MDL Number:
MFCD03407405
IUPAC Name:
5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H7F2N3O2/c11-5-1-2-8(7(12)3-5)15-9(13)6(4-14-15)10(16)17/h1-4H,13H2,(H,16,17)
InChI Key:
BMZMLHXRADPUBF-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)n1ncc(c1N)C(=O)O
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.182g/mol
Monoisotopic Mass:
239.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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