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23030-65-1 | 2,5-Cyclohexadiene-1,4-dione, 2-bromo-5-methoxy-
CAS No: 23030-65-1 Catalog No: AG002LXV MDL No:MFCD18452273
Product Description
Catalog Number:
AG002LXV
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2-bromo-5-methoxy-
CAS Number:
23030-65-1
Molecular Formula:
C7H5BrO3
Molecular Weight:
217.0168
MDL Number:
MFCD18452273
IUPAC Name:
2-bromo-5-methoxycyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C7H5BrO3/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3
InChI Key:
YNEPNZYQQQVSNM-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)C(=CC1=O)Br
NSC Number:
623636
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.942g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.018g/mol
Monoisotopic Mass:
215.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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