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20028-53-9 | Benzaldehyde, 2-amino-5-chloro-
CAS No: 20028-53-9 Catalog No: AG002CNB MDL No:MFCD02093936
Product Description
Catalog Number:
AG002CNB
Chemical Name:
Benzaldehyde, 2-amino-5-chloro-
CAS Number:
20028-53-9
Molecular Formula:
C7H6ClNO
Molecular Weight:
155.5816
MDL Number:
MFCD02093936
IUPAC Name:
2-amino-5-chlorobenzaldehyde
InChI:
InChI=1S/C7H6ClNO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H,9H2
InChI Key:
KUIFMGITZFDQMP-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)ccc1N
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.014g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.581g/mol
Monoisotopic Mass:
155.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase. | Journal of medicinal chemistry 20110113 |
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