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889879-45-2 | 5H-[1]Benzopyrano[2,3-b]pyridin-5-one, 2-(bromomethyl)-
CAS No: 889879-45-2 Catalog No: AG00453Z MDL No:
Product Description
Catalog Number:
AG00453Z
Chemical Name:
5H-[1]Benzopyrano[2,3-b]pyridin-5-one, 2-(bromomethyl)-
CAS Number:
889879-45-2
Molecular Formula:
C13H8BrNO2
Molecular Weight:
290.1121
IUPAC Name:
2-(bromomethyl)chromeno[2,3-b]pyridin-5-one
InChI:
InChI=1S/C13H8BrNO2/c14-7-8-5-6-10-12(16)9-3-1-2-4-11(9)17-13(10)15-8/h1-6H,7H2
InChI Key:
LIWPZODSYLFSEF-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(n1)oc1c(c2=O)cccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.974g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.116g/mol
Monoisotopic Mass:
288.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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