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53413-67-5 | 1-(Bromomethyl);-4,5-dimethoxy-2-nitrobenzene
CAS No: 53413-67-5 Catalog No: AG003KI8 MDL No:MFCD00192064
Product Description
Catalog Number:
AG003KI8
Chemical Name:
1-(Bromomethyl);-4,5-dimethoxy-2-nitrobenzene
CAS Number:
53413-67-5
Molecular Formula:
C9H10BrNO4
Molecular Weight:
276.0840
MDL Number:
MFCD00192064
IUPAC Name:
1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene
InChI:
InChI=1S/C9H10BrNO4/c1-14-8-3-6(5-10)7(11(12)13)4-9(8)15-2/h3-4H,5H2,1-2H3
InChI Key:
UEKFEYNZISYRRH-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1OC)CBr
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.979g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.086g/mol
Monoisotopic Mass:
274.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Reversible inactivation of the CG specific SssI DNA (cytosine-C5)-methyltransferase with a photocleavable protecting group. | Chembiochem : a European journal of chemical biology 20070122 |
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