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28858-03-9 | 1H-Indene-2-carboxamide, 3-amino-1-phenyl-
CAS No: 28858-03-9 Catalog No: AG002WV2 MDL No:
Product Description
Catalog Number:
AG002WV2
Chemical Name:
1H-Indene-2-carboxamide, 3-amino-1-phenyl-
CAS Number:
28858-03-9
Molecular Formula:
C16H14N2O
Molecular Weight:
250.2952
IUPAC Name:
3-amino-1-phenyl-1H-indene-2-carboxamide
InChI:
InChI=1S/C16H14N2O/c17-15-12-9-5-4-8-11(12)13(14(15)16(18)19)10-6-2-1-3-7-10/h1-9,13H,17H2,(H2,18,19)
InChI Key:
FFLYGYBBFUZZJK-UHFFFAOYSA-N
SMILES:
NC(=O)C1=C(N)c2c(C1c1ccccc1)cccc2
NSC Number:
108750
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.301g/mol
Monoisotopic Mass:
250.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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