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Home > Fluorides > 204714-56-7
204714-56-7 | Benzonitrile, 4-[3-(4-fluorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)propyl]-
CAS No: 204714-56-7 Catalog No: AG0029NV MDL No:
Product Description
Catalog Number:
AG0029NV
Chemical Name:
Benzonitrile, 4-[3-(4-fluorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)propyl]-
CAS Number:
204714-56-7
Molecular Formula:
C18H15FN4O
Molecular Weight:
322.3363
IUPAC Name:
4-[3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
InChI:
InChI=1S/C18H15FN4O/c19-16-7-3-13(4-8-16)9-17(24)18(23-12-21-11-22-23)15-5-1-14(10-20)2-6-15/h1-8,11-12,17-18,24H,9H2
InChI Key:
SLJZVZKQYSKYNV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(n1cncn1)C(Cc1ccc(cc1)F)O
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.123g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.343g/mol
Monoisotopic Mass:
322.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Aflatoxin B1--a potential endocrine disruptor--up-regulates CYP19A1 in JEG-3 cells. | Toxicology letters 20110510 |
| Delay of postnatal maturation sensitizes the mouse prostate to testosterone-induced pronounced hyperplasia: protective role of estrogen receptor-beta. | The American journal of pathology 20070901 |
| Crystal structures of an enantioselective fab-fragment in free and complex forms. | Journal of molecular biology 20060324 |
| Multiple structural and functional abnormalities in the p450 aromatase expressing transgenic male mice are ameliorated by a p450 aromatase inhibitor. | The American journal of pathology 20040301 |
| Enantioselective affinity chromatography of a chiral drug by crystalline and carrier-bound antibody fab fragment. | Biotechnology progress 20040101 |
| Developmental, estrogen induced infravesical obstruction is reversible in adult male rodents. | The Journal of urology 20021101 |
| Mammary gland development in transgenic male mice expressing human P450 aromatase. | Endocrinology 20021001 |
| Antibody-based bio-nanotube membranes for enantiomeric drug separations. | Science (New York, N.Y.) 20020621 |
| Pharmacokinetics of finrozole (MPV-2213ad), a novel selective aromatase inhibitor, in healthy men. | British journal of clinical pharmacology 20011201 |
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