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113822-91-6

113822-91-6 | 1,4-Naphthalenedione, 2-(1-bromoethyl)-3-chloro-

CAS No: 113822-91-6 Catalog No: AG0009SZ MDL No:

Product Description

Catalog Number:
AG0009SZ
Chemical Name:
1,4-Naphthalenedione, 2-(1-bromoethyl)-3-chloro-
CAS Number:
113822-91-6
Molecular Formula:
C12H8BrClO2
Molecular Weight:
299.5477
IUPAC Name:
2-(1-bromoethyl)-3-chloronaphthalene-1,4-dione
InChI:
InChI=1S/C12H8BrClO2/c1-6(13)9-10(14)12(16)8-5-3-2-4-7(8)11(9)15/h2-6H,1H3
InChI Key:
CGTDOQMDENWXLN-UHFFFAOYSA-N
SMILES:
CC(C1=C(Cl)C(=O)c2c(C1=O)cccc2)Br

Properties

Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.94g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.548g/mol
Monoisotopic Mass:
297.94g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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