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89453-97-4 | 1,8-Naphthalenedicarboxaldehyde, 4,5-dichloro-
CAS No: 89453-97-4 Catalog No: AG004488 MDL No:
Product Description
Catalog Number:
AG004488
Chemical Name:
1,8-Naphthalenedicarboxaldehyde, 4,5-dichloro-
CAS Number:
89453-97-4
Molecular Formula:
C12H6Cl2O2
Molecular Weight:
253.0808
IUPAC Name:
4,5-dichloronaphthalene-1,8-dicarbaldehyde
InChI:
InChI=1S/C12H6Cl2O2/c13-9-3-1-7(5-15)11-8(6-16)2-4-10(14)12(9)11/h1-6H
InChI Key:
RRYZUZHDTFZPTN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c2c1c(C=O)ccc2Cl)Cl
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.974g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.078g/mol
Monoisotopic Mass:
251.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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