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Home > Aldehydes > 128843-61-8
128843-61-8 | 1H-Pyrrole-2-carboxaldehyde, 4-(4-fluorobenzoyl)-1-methyl-
CAS No: 128843-61-8 Catalog No: AG000YES MDL No:MFCD00172167
Product Description
Catalog Number:
AG000YES
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 4-(4-fluorobenzoyl)-1-methyl-
CAS Number:
128843-61-8
Molecular Formula:
C13H10FNO2
Molecular Weight:
231.2224
MDL Number:
MFCD00172167
IUPAC Name:
4-(4-fluorobenzoyl)-1-methylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C13H10FNO2/c1-15-7-10(6-12(15)8-16)13(17)9-2-4-11(14)5-3-9/h2-8H,1H3
InChI Key:
GNMRXQTZWYXHMO-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cn1C)C(=O)c1ccc(cc1)F
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.226g/mol
Monoisotopic Mass:
231.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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