Home Bromides 1009826-93-0
1009826-93-0,MFCD11111841
Catalog No.:AA0003AK
1009826-93-0 | Methyl 5-bromo-4-pyrimidinecarboxylate
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250mg
95%
1 week  
$380.00   $266.00
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1g
95%
1 week  
$862.00   $604.00
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Technical Information
Catalog Number:
AA0003AK
Chemical Name:
Methyl 5-bromo-4-pyrimidinecarboxylate
CAS Number:
1009826-93-0
Molecular Formula:
C6H5BrN2O2
Molecular Weight:
217.0201
MDL Number:
MFCD11111841
IUPAC Name:
methyl 5-bromopyrimidine-4-carboxylate
InChI:
InChI=1S/C6H5BrN2O2/c1-11-6(10)5-4(7)2-8-3-9-5/h2-3H,1H3
InChI Key:
XUPQZWPAEGFTMN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncncc1Br
Properties
Computed Properties
 
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.953g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.022g/mol
Monoisotopic Mass:
215.953g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
methyl 5-bromopyrimidine-4-carboxylate 
1009826-93-0 
CM-001 
MFCD11111841 
ZINC40448867 
AKOS015851971 
methyl-5-bromopyrimidine-4-carboxylate 
CS-W005071 
HP23016 
RP27033 
AK-25053 
BP-20578 
METHYL 5-BROMO-4-PYRIMIDINECARBOXYLATE 
BR-25053 
CJ-20221 
DS-10607 
QC-11625 
AB0034391 
AJ-103076 
DB-001057 
TC-063090 
4CH-008456 
AM20070659 
SCHEMBL630362 
FT-0648318 
ST24031135 
X8539 
S-6436 
4-Pyrimidinecarboxylic acid, 5-bromo-, methyl ester 
4-Pyrimidinecarboxylicacid, 5-bromo-, methyl ester 
I03-0449 
J-522459 
C6H5BrN2O2 
A15054 
CTK3J9411 
5-bromo-4-Pyrimidinecarboxylic acid methyl ester 
KS-00000HNG 
DTXSID80672209 
XUPQZWPAEGFTMN-UHFFFAOYSA-N 
BCP26447 
ANW-50369 
Literature
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