Home Halogens 6-bromo-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

6-bromo-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

CAS No.:
2092211-77-1
Catalog Number:
AG01B6M5
Molecular Formula:
C6H4BrClN4
Molecular Weight:
247.4798
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Product Description
Catalog Number:
AG01B6M5
Chemical Name:
6-bromo-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CAS Number:
2092211-77-1
Molecular Formula:
C6H4BrClN4
Molecular Weight:
247.4798
MDL Number:
MFCD30619763
IUPAC Name:
6-bromo-2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C6H4BrClN4/c7-4-2-9-6-10-5(1-8)11-12(6)3-4/h2-3H,1H2
InChI Key:
YFYRIUGUAOWWDU-UHFFFAOYSA-N
SMILES:
ClCc1nn2c(n1)ncc(c2)Br
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.931g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.48g/mol
Monoisotopic Mass:
245.931g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties