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817177-67-6 | 1H-1,2,4-Triazolium, 4-amino-1-methyl-, perchlorate
CAS No: 817177-67-6 Catalog No: AG00518S MDL No:
Product Description
Catalog Number:
AG00518S
Chemical Name:
1H-1,2,4-Triazolium, 4-amino-1-methyl-, perchlorate
CAS Number:
817177-67-6
Molecular Formula:
C3H9ClN4O4
Molecular Weight:
200.5810
IUPAC Name:
1-methyl-1,5-dihydro-1,2,4-triazol-1-ium-4-amine;perchlorate
InChI:
InChI=1S/C3H8N4.ClHO4/c1-6-3-7(4)2-5-6;2-1(3,4)5/h2H,3-4H2,1H3;(H,2,3,4,5)
InChI Key:
DLSSMEBMFXWPIR-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.NN1C=N[NH+](C1)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.579g/mol
Monoisotopic Mass:
200.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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