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89315-20-8 | Pyrene, 1,3-dichloro-
CAS No: 89315-20-8 Catalog No: AG004058 MDL No:
Product Description
Catalog Number:
AG004058
Chemical Name:
Pyrene, 1,3-dichloro-
CAS Number:
89315-20-8
Molecular Formula:
C16H8Cl2
Molecular Weight:
271.1407
IUPAC Name:
1,3-dichloropyrene
InChI:
InChI=1S/C16H8Cl2/c17-13-8-14(18)12-7-5-10-3-1-2-9-4-6-11(13)16(12)15(9)10/h1-8H
InChI Key:
XYLXEWWJLMKRCG-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.14g/mol
Monoisotopic Mass:
270g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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