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265100-32-1 | Butane, dibromodicyano-
CAS No: 265100-32-1 Catalog No: AG002TIC MDL No:
Product Description
Catalog Number:
AG002TIC
Chemical Name:
Butane, dibromodicyano-
CAS Number:
265100-32-1
Molecular Formula:
C6H6Br2N2
Molecular Weight:
265.9332
IUPAC Name:
2-bromo-2-(1-bromopropyl)propanedinitrile
InChI:
InChI=1S/C6H6Br2N2/c1-2-5(7)6(8,3-9)4-10/h5H,2H2,1H3
InChI Key:
PZQJWMDBALUNJN-UHFFFAOYSA-N
SMILES:
N#CC(C(C#N)(Br)C)(Br)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.888g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.936g/mol
Monoisotopic Mass:
263.89g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Contact hypersensitivity to selected excipients of dermatological topical preparations and cosmetics in patients with chronic eczema. | Acta dermatovenerologica Alpina, Pannonica, et Adriatica 20080601 |
| Vehicle effects on skin sensitizing potency of four chemicals: assessment using the local lymph node assay. | International journal of cosmetic science 20010401 |
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