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3355-28-0

3355-28-0 | 1-Bromo-2-Butyne

CAS No: 3355-28-0 Catalog No: AG0032PB MDL No:MFCD00190233

Product Description

Catalog Number:
AG0032PB
Chemical Name:
1-Bromo-2-Butyne
CAS Number:
3355-28-0
Molecular Formula:
C4H5Br
Molecular Weight:
132.9865
MDL Number:
MFCD00190233
IUPAC Name:
1-bromobut-2-yne
InChI:
InChI=1S/C4H5Br/c1-2-3-4-5/h4H2,1H3
InChI Key:
LNNXOEHOXSYWLD-UHFFFAOYSA-N
SMILES:
CC#CCBr

Properties

Complexity:
62.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.957g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.988g/mol
Monoisotopic Mass:
131.957g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Literature

Title Journal
Modification of carbon substrates by aryl and alkynyl iodonium salt reduction. Langmuir : the ACS journal of surfaces and colloids 20100921
Unexpected reactivity of o-nitrosophenol with RCH(2)Br: C-H bond cleavage and annulation to benzoxazoles and benzoxazines (R = Alkynyl). Organic letters 20100219

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