Home Halogens 3-tert-butyl-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine

3-tert-butyl-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine

CAS No.:
1094292-89-3
Catalog Number:
AG01A6PS
Molecular Formula:
C9H11ClN4
Molecular Weight:
210.6634
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Product Description
Catalog Number:
AG01A6PS
Chemical Name:
3-tert-butyl-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CAS Number:
1094292-89-3
Molecular Formula:
C9H11ClN4
Molecular Weight:
210.6634
MDL Number:
MFCD11182605
IUPAC Name:
3-tert-butyl-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine
InChI:
InChI=1S/C9H11ClN4/c1-9(2,3)8-13-12-7-4-6(10)11-5-14(7)8/h4-5H,1-3H3
InChI Key:
VROUGZXQSCJFOS-UHFFFAOYSA-N
SMILES:
Clc1ncn2c(c1)nnc2C(C)(C)C
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.067g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.665g/mol
Monoisotopic Mass:
210.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties