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160039-16-7 | Benzonitrile, 2,5-bis(bromomethyl)-
CAS No: 160039-16-7 Catalog No: AG001RM4 MDL No:
Product Description
Catalog Number:
AG001RM4
Chemical Name:
Benzonitrile, 2,5-bis(bromomethyl)-
CAS Number:
160039-16-7
Molecular Formula:
C9H7Br2N
Molecular Weight:
288.9666
IUPAC Name:
2,5-bis(bromomethyl)benzonitrile
InChI:
InChI=1S/C9H7Br2N/c10-4-7-1-2-8(5-11)9(3-7)6-12/h1-3H,4-5H2
InChI Key:
ZDZRJUYXHITYOL-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)C#N)CBr
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.892g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.97g/mol
Monoisotopic Mass:
286.895g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| 5,8-Dibromo-15-cyano-2,11-dithia-[3.3]paracyclo-phane. | Acta crystallographica. Section E, Structure reports online 20111201 |
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