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2481-67-6 | 4h-1-benzopyran-4-one, 6-chloro-3-hydroxy-2-(3-pyridinyl)-
CAS No: 2481-67-6 Catalog No: AG002PJ0 MDL No:
Product Description
Catalog Number:
AG002PJ0
Chemical Name:
4h-1-benzopyran-4-one, 6-chloro-3-hydroxy-2-(3-pyridinyl)-
CAS Number:
2481-67-6
Molecular Formula:
C14H8ClNO3
Molecular Weight:
273.6712
IUPAC Name:
6-chloro-3-hydroxy-2-pyridin-3-ylchromen-4-one
InChI:
InChI=1S/C14H8ClNO3/c15-9-3-4-11-10(6-9)12(17)13(18)14(19-11)8-2-1-5-16-7-8/h1-7,18H
InChI Key:
WJKGSPGPHGBKRY-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)c(c(o2)c1cccnc1)O
NSC Number:
77516
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.019g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.672g/mol
Monoisotopic Mass:
273.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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