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1732-26-9 | Pyrene, 4-bromo-
CAS No: 1732-26-9 Catalog No: AG001YPE MDL No:
Product Description
Catalog Number:
AG001YPE
Chemical Name:
Pyrene, 4-bromo-
CAS Number:
1732-26-9
Molecular Formula:
C16H9Br
Molecular Weight:
281.1467
IUPAC Name:
4-bromopyrene
InChI:
InChI=1S/C16H9Br/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H
InChI Key:
QMHTZTOPYZKQLC-UHFFFAOYSA-N
SMILES:
Brc1cc2cccc3c2c2c1cccc2cc3
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.989g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.152g/mol
Monoisotopic Mass:
279.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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