Home Amines 1003298-79-0
1003298-79-0,MFCD13193632
Catalog No.:AA0001JH
1003298-79-0 | 3-Bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine
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1g
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$247.00   $173.00
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Technical Information
Catalog Number:
AA0001JH
Chemical Name:
3-Bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CAS Number:
1003298-79-0
Molecular Formula:
C5H3BrClN5
Molecular Weight:
248.4678
MDL Number:
MFCD13193632
IUPAC Name:
3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine
InChI:
InChI=1S/C5H3BrClN5/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H3,8,9,10,11,12)
InChI Key:
QOWUSMIVHAPTKO-UHFFFAOYSA-N
SMILES:
Nc1nc(Cl)c2c(n1)[nH]nc2Br
Properties
Computed Properties
 
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.926g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
248.468g/mol
Monoisotopic Mass:
246.926g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
3-Bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine 
1003298-79-0 
ZX-AT003965 
ANW-69319 
MFCD13193632 
ZINC71773552 
AKOS016005910 
FCH1382007 
OR18021 
PS-4006 
RP06071 
KS-00002A34 
W-204361 
AK-31689 
AJ-118465 
AX8213200 
DB-058347 
TC-158064 
FT-0711606 
Y6769 
K-0167 
J-511909 
3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine 
6-Amino-3-bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidine 
3-Bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine 
6-Amino-3-bromo-4-chloropyrazolo[3,4-d]pyrimidine, 95% 
3-Bromo-4-chloro-1H-pyrazolo-[3,4-d]pyrimidin-6-amine 
C5H3BrClN5 
SCHEMBL4272037 
CTK0G9196 
DTXSID00679851 
QOWUSMIVHAPTKO-UHFFFAOYSA-N 
Literature
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