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4542-77-2 | 2,6-Bis(bromomethyl)naphthalene
CAS No: 4542-77-2 Catalog No: AG00330S MDL No:MFCD00228693
Product Description
Catalog Number:
AG00330S
Chemical Name:
2,6-Bis(bromomethyl)naphthalene
CAS Number:
4542-77-2
Molecular Formula:
C12H10Br2
Molecular Weight:
314.0158
MDL Number:
MFCD00228693
IUPAC Name:
2,6-bis(bromomethyl)naphthalene
InChI:
InChI=1S/C12H10Br2/c13-7-9-1-3-11-6-10(8-14)2-4-12(11)5-9/h1-6H,7-8H2
InChI Key:
JRHSGFPVPTWMND-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(c1)ccc(c2)CBr
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.913g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.02g/mol
Monoisotopic Mass:
311.915g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Unique behavior of 2,6-bis(bromomethyl)naphthalene as a highly active organic DNA crosslinking molecule. | Bioorganic & medicinal chemistry 20090515 |
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