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88353-22-4 | 2H-1-Benzopyran-2-one, 3-nitro-4-[(3-pyridinylmethyl)amino]-
CAS No: 88353-22-4 Catalog No: AG0045SG MDL No:
Product Description
Catalog Number:
AG0045SG
Chemical Name:
2H-1-Benzopyran-2-one, 3-nitro-4-[(3-pyridinylmethyl)amino]-
CAS Number:
88353-22-4
Molecular Formula:
C15H11N3O4
Molecular Weight:
297.2655
IUPAC Name:
3-nitro-4-(pyridin-3-ylmethylamino)chromen-2-one
InChI:
InChI=1S/C15H11N3O4/c19-15-14(18(20)21)13(11-5-1-2-6-12(11)22-15)17-9-10-4-3-7-16-8-10/h1-8,17H,9H2
InChI Key:
ROSBHFRJPXLCDD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(=O)oc2c(c1NCc1cccnc1)cccc2
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.27g/mol
Monoisotopic Mass:
297.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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