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24961-39-5 | Benz[a]anthracene, 7-(bromomethyl)-
CAS No: 24961-39-5 Catalog No: AG002Q0D MDL No:
Product Description
Catalog Number:
AG002Q0D
Chemical Name:
Benz[a]anthracene, 7-(bromomethyl)-
CAS Number:
24961-39-5
Molecular Formula:
C19H13Br
Molecular Weight:
321.2105
IUPAC Name:
7-(bromomethyl)benzo[a]anthracene
InChI:
InChI=1S/C19H13Br/c20-12-19-16-8-4-2-6-14(16)11-18-15-7-3-1-5-13(15)9-10-17(18)19/h1-11H,12H2
InChI Key:
QUVSFZCWYBQJJK-UHFFFAOYSA-N
SMILES:
BrCc1c2ccc3c(c2cc2c1cccc2)cccc3
UNII:
5C6O181H57
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:
5.6
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