Home Bromides 1135283-08-7
1135283-08-7,MFCD11840983
Catalog No.:AA0008TD
1135283-08-7 | 5-Bromo-2-ethynylpyrimidine
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250mg
98%
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$244.00   $171.00
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Technical Information
Catalog Number:
AA0008TD
Chemical Name:
5-Bromo-2-ethynylpyrimidine
CAS Number:
1135283-08-7
Molecular Formula:
C6H3BrN2
Molecular Weight:
183.0054
MDL Number:
MFCD11840983
IUPAC Name:
5-bromo-2-ethynylpyrimidine
InChI:
InChI=1S/C6H3BrN2/c1-2-6-8-3-5(7)4-9-6/h1,3-4H
InChI Key:
ZHOLVGVOMDUCDY-UHFFFAOYSA-N
SMILES:
C#Cc1ncc(cn1)Br
Properties
Computed Properties
 
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.948g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.008g/mol
Monoisotopic Mass:
181.948g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
5-bromo-2-ethynylpyrimidine 
1135283-08-7 
ANW-56204 
FCH923175 
MFCD11840983 
SBB089982 
ZINC32911350 
AKOS005071690 
AB64558 
AD-0794 
CB-3741 
MCULE-7047230150 
bromoethynylpyrimidine 
OR43606 
RP10973 
AJ-85542 
AK-31827 
BBV-38361438 
SC-28361 
AX8196330 
TR-064260 
I03-0452 
J-516922 
CTK5J0651 
C6H3BrN2 
A15136 
DTXSID60653894 
(5-Bromopyrimidin-2-yl)acetylene 
5-Bromo-2-ethynyl-1,3-diazine 
KS-00001PU2 
ZX-AT020661 
2307AA 
Literature
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