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150163-13-6 | 2-Propenenitrile, 3-bromo-2-methyl-
CAS No: 150163-13-6 Catalog No: AG001MDW MDL No:MFCD00010382
Product Description
Catalog Number:
AG001MDW
Chemical Name:
2-Propenenitrile, 3-bromo-2-methyl-
CAS Number:
150163-13-6
Molecular Formula:
C4H4BrN
Molecular Weight:
145.9853
MDL Number:
MFCD00010382
IUPAC Name:
3-bromo-2-methylprop-2-enenitrile
InChI:
InChI=1S/C4H4BrN/c1-4(2-5)3-6/h2H,1H3
InChI Key:
VAVDVRKEPBGVMB-UHFFFAOYSA-N
SMILES:
CC(=CBr)C#N
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.953g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.987g/mol
Monoisotopic Mass:
144.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Stereoselective synthesis of 1'-C-branched arabinofuranosyl nucleosides via anomeric radicals generated by 1,2-acyloxy migration. | The Journal of organic chemistry 20030307 |
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