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138907-69-4 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2,5-difluorophenyl)-, ethyl ester
CAS No: 138907-69-4 Catalog No: AG0019SB MDL No:MFCD06795943
Product Description
Catalog Number:
AG0019SB
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2,5-difluorophenyl)-, ethyl ester
CAS Number:
138907-69-4
Molecular Formula:
C12H11F2N3O2
Molecular Weight:
267.2314
MDL Number:
MFCD06795943
IUPAC Name:
ethyl 5-amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C12H11F2N3O2/c1-2-19-12(18)8-6-16-17(11(8)15)10-5-7(13)3-4-9(10)14/h3-6H,2,15H2,1H3
InChI Key:
LWVCEZBYECDTPN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1N)c1cc(F)ccc1F
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.236g/mol
Monoisotopic Mass:
267.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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