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113851-99-3 | 2,5-Cyclohexadien-1-one, 2,6-dibromo-4-(dichloromethyl)-4-methyl-
CAS No: 113851-99-3 Catalog No: AG0009XX MDL No:
Product Description
Catalog Number:
AG0009XX
Chemical Name:
2,5-Cyclohexadien-1-one, 2,6-dibromo-4-(dichloromethyl)-4-methyl-
CAS Number:
113851-99-3
Molecular Formula:
C8H6Br2Cl2O
Molecular Weight:
348.8466
IUPAC Name:
2,6-dibromo-4-(dichloromethyl)-4-methylcyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C8H6Br2Cl2O/c1-8(7(11)12)2-4(9)6(13)5(10)3-8/h2-3,7H,1H3
InChI Key:
GLQWPOAVAYIEHV-UHFFFAOYSA-N
SMILES:
ClC(C1(C)C=C(Br)C(=O)C(=C1)Br)Cl
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.814g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.843g/mol
Monoisotopic Mass:
345.816g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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