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138206-23-2 | Perylene, 1-bromo-
CAS No: 138206-23-2 Catalog No: AG0018A4 MDL No:
Product Description
Catalog Number:
AG0018A4
Chemical Name:
Perylene, 1-bromo-
CAS Number:
138206-23-2
Molecular Formula:
C20H11Br
Molecular Weight:
331.2053
IUPAC Name:
1-bromoperylene
InChI:
InChI=1S/C20H11Br/c21-17-11-10-13-6-2-8-15-14-7-1-4-12-5-3-9-16(18(12)14)20(17)19(13)15/h1-11H
InChI Key:
KGCJCDXZSPVGGX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c3c1c1cccc4c1c(c3ccc2)ccc4
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.004g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.212g/mol
Monoisotopic Mass:
330.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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