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2051-98-1 | Acenaphthylene, 5-bromo-1,2-dihydro-
CAS No: 2051-98-1 Catalog No: AG0029UN MDL No:MFCD00003809
Product Description
Catalog Number:
AG0029UN
Chemical Name:
Acenaphthylene, 5-bromo-1,2-dihydro-
CAS Number:
2051-98-1
Molecular Formula:
C12H9Br
Molecular Weight:
233.1039
MDL Number:
MFCD00003809
IUPAC Name:
5-bromo-1,2-dihydroacenaphthylene
InChI:
InChI=1S/C12H9Br/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2
InChI Key:
QALKJGMGKYKMKE-UHFFFAOYSA-N
SMILES:
Brc1ccc2c3c1cccc3CC2
EC Number:
218-138-7
NSC Number:
59823
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.108g/mol
Monoisotopic Mass:
231.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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