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138965-50-1 | Chrysene, 3-(bromomethyl)-
CAS No: 138965-50-1 Catalog No: AG0019X5 MDL No:
Product Description
Catalog Number:
AG0019X5
Chemical Name:
Chrysene, 3-(bromomethyl)-
CAS Number:
138965-50-1
Molecular Formula:
C19H13Br
Molecular Weight:
321.2105
IUPAC Name:
3-(bromomethyl)chrysene
InChI:
InChI=1S/C19H13Br/c20-12-13-5-6-15-8-9-17-16-4-2-1-3-14(16)7-10-18(17)19(15)11-13/h1-11H,12H2
InChI Key:
XBLWINRYOHTFJM-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(c1)c1ccc3c(c1cc2)cccc3
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.02g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.217g/mol
Monoisotopic Mass:
320.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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