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179113-47-4 | 2H-1-Benzopyran-2-one, 7-bromo-4-(3-pyridinyl)-
CAS No: 179113-47-4 Catalog No: AG0026SO MDL No:
Product Description
Catalog Number:
AG0026SO
Chemical Name:
2H-1-Benzopyran-2-one, 7-bromo-4-(3-pyridinyl)-
CAS Number:
179113-47-4
Molecular Formula:
C14H8BrNO2
Molecular Weight:
302.1228
IUPAC Name:
7-bromo-4-pyridin-3-ylchromen-2-one
InChI:
InChI=1S/C14H8BrNO2/c15-10-3-4-11-12(9-2-1-5-16-8-9)7-14(17)18-13(11)6-10/h1-8H
InChI Key:
LXLWIQHRLCHDKR-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)oc(=O)cc2c1cccnc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.974g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.127g/mol
Monoisotopic Mass:
300.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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