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824969-10-0 | Benzamide, 2,4-difluoro-N-(3-methyl-5-phenyl-1H-pyrazol-4-yl)-
CAS No: 824969-10-0 Catalog No: AG004UR8 MDL No:
Product Description
Catalog Number:
AG004UR8
Chemical Name:
Benzamide, 2,4-difluoro-N-(3-methyl-5-phenyl-1H-pyrazol-4-yl)-
CAS Number:
824969-10-0
Molecular Formula:
C17H13F2N3O
Molecular Weight:
313.3014
IUPAC Name:
2,4-difluoro-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
InChI:
InChI=1S/C17H13F2N3O/c1-10-15(16(22-21-10)11-5-3-2-4-6-11)20-17(23)13-8-7-12(18)9-14(13)19/h2-9H,1H3,(H,20,23)(H,21,22)
InChI Key:
HZRZUUNOFQZJFR-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)C(=O)Nc1c(C)n[nH]c1c1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.103g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.308g/mol
Monoisotopic Mass:
313.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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