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1159811-34-3 | [1,2,4]Triazolo[1,5-c]pyrimidine, 7-chloro-2-methyl-
CAS No: 1159811-34-3 Catalog No: AG000H9V MDL No:
Product Description
Catalog Number:
AG000H9V
Chemical Name:
[1,2,4]Triazolo[1,5-c]pyrimidine, 7-chloro-2-methyl-
CAS Number:
1159811-34-3
Molecular Formula:
C6H5ClN4
Molecular Weight:
168.5837
IUPAC Name:
7-chloro-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
InChI:
InChI=1S/C6H5ClN4/c1-4-9-6-2-5(7)8-3-11(6)10-4/h2-3H,1H3
InChI Key:
HOOYREHEOWQCTD-UHFFFAOYSA-N
SMILES:
Clc1ncn2c(c1)nc(n2)C
Properties
Complexity:
154
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:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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