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

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

CAS No.:
1338495-29-6
Catalog Number:
AG00HT1Z
Molecular Formula:
C6H5ClN4
Molecular Weight:
168.5837
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Product Description
Catalog Number:
AG00HT1Z
Chemical Name:
2-(chloromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
CAS Number:
1338495-29-6
Molecular Formula:
C6H5ClN4
Molecular Weight:
168.5837
MDL Number:
MFCD20441375
IUPAC Name:
2-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C6H5ClN4/c7-4-5-9-6-8-2-1-3-11(6)10-5/h1-3H,4H2
InChI Key:
BPBNRYMWALIGJD-UHFFFAOYSA-N
SMILES:
ClCc1nn2c(n1)nccc2
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.584g/mol
Monoisotopic Mass:
168.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties