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25007-57-2 | 1,4-Naphthalenedione, 2-chloro-3-phenyl-
CAS No: 25007-57-2 Catalog No: AG002Q5L MDL No:
Product Description
Catalog Number:
AG002Q5L
Chemical Name:
1,4-Naphthalenedione, 2-chloro-3-phenyl-
CAS Number:
25007-57-2
Molecular Formula:
C16H9ClO2
Molecular Weight:
268.6945
IUPAC Name:
2-chloro-3-phenylnaphthalene-1,4-dione
InChI:
InChI=1S/C16H9ClO2/c17-14-13(10-6-2-1-3-7-10)15(18)11-8-4-5-9-12(11)16(14)19/h1-9H
InChI Key:
SDWCCVCUDRNNQS-UHFFFAOYSA-N
SMILES:
ClC1=C(c2ccccc2)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.029g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.696g/mol
Monoisotopic Mass:
268.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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