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28565-43-7 | [1,2,4]Triazolo[1,5-a]pyrimidine, 7-chloro-5-phenyl-
CAS No: 28565-43-7 Catalog No: AG002VPF MDL No:MFCD07440084
Product Description
Catalog Number:
AG002VPF
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidine, 7-chloro-5-phenyl-
CAS Number:
28565-43-7
Molecular Formula:
C11H7ClN4
Molecular Weight:
230.6531
MDL Number:
MFCD07440084
IUPAC Name:
7-chloro-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C11H7ClN4/c12-10-6-9(8-4-2-1-3-5-8)15-11-13-7-14-16(10)11/h1-7H
InChI Key:
PHVJNOYGIOXBRH-UHFFFAOYSA-N
SMILES:
Clc1cc(nc2n1ncn2)c1ccccc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.655g/mol
Monoisotopic Mass:
230.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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