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1144-36-1 | 2,5-Cyclohexadien-1-one, 4,4-dibromo-2,6-bis(1,1-dimethylethyl)-
CAS No: 1144-36-1 Catalog No: AG000B8P MDL No:MFCD00856954
Product Description
Catalog Number:
AG000B8P
Chemical Name:
2,5-Cyclohexadien-1-one, 4,4-dibromo-2,6-bis(1,1-dimethylethyl)-
CAS Number:
1144-36-1
Molecular Formula:
C14H20Br2O
Molecular Weight:
364.1160
MDL Number:
MFCD00856954
IUPAC Name:
4,4-dibromo-2,6-ditert-butylcyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C14H20Br2O/c1-12(2,3)9-7-14(15,16)8-10(11(9)17)13(4,5)6/h7-8H,1-6H3
InChI Key:
WRRFKBTXZIRGSF-UHFFFAOYSA-N
SMILES:
O=C1C(=CC(C=C1C(C)(C)C)(Br)Br)C(C)(C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.986g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.121g/mol
Monoisotopic Mass:
361.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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