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122757-59-9 | 1H-Carbazole-1-acetic acid, 9-[(4-chlorophenyl)methyl]-6-fluoro-2,3,4,4a,9,9a-hexahydro-, (-)-
CAS No: 122757-59-9 Catalog No: AG000JBI MDL No:
Product Description
Catalog Number:
AG000JBI
Chemical Name:
1H-Carbazole-1-acetic acid, 9-[(4-chlorophenyl)methyl]-6-fluoro-2,3,4,4a,9,9a-hexahydro-, (-)-
CAS Number:
122757-59-9
Molecular Formula:
C21H21ClFNO2
Molecular Weight:
373.8483
IUPAC Name:
2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4,4a,9a-hexahydrocarbazol-1-yl]acetic acid
InChI:
InChI=1S/C21H21ClFNO2/c22-15-6-4-13(5-7-15)12-24-19-9-8-16(23)11-18(19)17-3-1-2-14(21(17)24)10-20(25)26/h4-9,11,14,17,21H,1-3,10,12H2,(H,25,26)
InChI Key:
USFMJLOJQLMDAA-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCC2C1N(Cc1ccc(cc1)Cl)c1c2cc(cc1)F
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.124g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.852g/mol
Monoisotopic Mass:
373.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Differential effect of pH on thromboxane A2/prostaglandin H2 receptor agonist and antagonist binding in human platelets. | The Journal of biological chemistry 19910725 |
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