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16336-27-9 | 2H-1-Benzopyran, 6-chloro-
CAS No: 16336-27-9 Catalog No: AG001U2L MDL No:MFCD10688512
Product Description
Catalog Number:
AG001U2L
Chemical Name:
2H-1-Benzopyran, 6-chloro-
CAS Number:
16336-27-9
Molecular Formula:
C9H7ClO
Molecular Weight:
166.6043
MDL Number:
MFCD10688512
IUPAC Name:
6-chloro-2H-chromene
InChI:
InChI=1S/C9H7ClO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-4,6H,5H2
InChI Key:
GVHCIIQGXMEYSL-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C=CCO2
NSC Number:
123159
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.604g/mol
Monoisotopic Mass:
166.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Novel antileishmanial chalconoids: synthesis and biological activity of 1- or 3-(6-chloro-2H-chromen-3-yl)propen-1-ones. | European journal of medicinal chemistry 20100401 |
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