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Home > Imidazoles > 93178-73-5
93178-73-5 | Benzoic acid, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-
CAS No: 93178-73-5 Catalog No: AG0065LU MDL No:
Product Description
Catalog Number:
AG0065LU
Chemical Name:
Benzoic acid, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-
CAS Number:
93178-73-5
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
IUPAC Name:
4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzoic acid
InChI:
InChI=1S/C14H14N2O2/c17-14(18)11-6-4-10(5-7-11)13-3-1-2-12-8-15-9-16(12)13/h4-9,13H,1-3H2,(H,17,18)
InChI Key:
KLIYHHIBTVVFPB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C1CCCc2n1cnc2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Fadrozole hydrochloride: a potent, selective, nonsteroidal inhibitor of aromatase for the treatment of estrogen-dependent disease. | Journal of medicinal chemistry 19910201 |
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