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766-46-1

766-46-1 | 2'-Bromophenylacetylene

CAS No: 766-46-1 Catalog No: AG00336T MDL No:MFCD01863358

Product Description

Catalog Number:
AG00336T
Chemical Name:
2'-Bromophenylacetylene
CAS Number:
766-46-1
Molecular Formula:
C8H5Br
Molecular Weight:
181.0293
MDL Number:
MFCD01863358
IUPAC Name:
1-bromo-2-ethynylbenzene
InChI:
InChI=1S/C8H5Br/c1-2-7-5-3-4-6-8(7)9/h1,3-6H
InChI Key:
RVDOYUFNRDGYGU-UHFFFAOYSA-N
SMILES:
C#Cc1ccccc1Br

Properties

Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.957g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.032g/mol
Monoisotopic Mass:
179.957g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Literature

Title Journal
Synthesis of new molecules containing head, spacer, and label moieties. The Journal of organic chemistry 20020920

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