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1777-63-5 | 4H-1-Benzopyran-4-one, 6-chloro-2,3-dihydro-2-(3-pyridinyl)-
CAS No: 1777-63-5 Catalog No: AG0025H2 MDL No:
Product Description
Catalog Number:
AG0025H2
Chemical Name:
4H-1-Benzopyran-4-one, 6-chloro-2,3-dihydro-2-(3-pyridinyl)-
CAS Number:
1777-63-5
Molecular Formula:
C14H10ClNO2
Molecular Weight:
259.6877
IUPAC Name:
6-chloro-2-pyridin-3-yl-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C14H10ClNO2/c15-10-3-4-13-11(6-10)12(17)7-14(18-13)9-2-1-5-16-8-9/h1-6,8,14H,7H2
InChI Key:
AOCNPHAGBNMEHK-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)CC(O2)c1cccnc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.689g/mol
Monoisotopic Mass:
259.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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