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76434-96-3 | [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 3-chloro-
CAS No: 76434-96-3 Catalog No: AG005BST MDL No:
Product Description
Catalog Number:
AG005BST
Chemical Name:
[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 3-chloro-
CAS Number:
76434-96-3
Molecular Formula:
C4H2ClN5O
Molecular Weight:
171.5446
IUPAC Name:
3-chloro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
InChI:
InChI=1S/C4H2ClN5O/c5-2-3(11)10-4(9-8-2)6-1-7-10/h1H,(H,6,7,9)
InChI Key:
FTACQKNXKPRWIM-UHFFFAOYSA-N
SMILES:
Clc1n[nH]c2n(c1=O)ncn2
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.995g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.544g/mol
Monoisotopic Mass:
170.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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