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457051-48-8 | 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyridin-1-ium perchlorate
CAS No: 457051-48-8 Catalog No: AG01EW20 MDL No:MFCD00957447
Product Description
Catalog Number:
AG01EW20
Chemical Name:
1-(1H-1,2,3-Benzotriazol-1-ylmethyl)pyridin-1-ium perchlorate
CAS Number:
457051-48-8
Molecular Formula:
C12H11ClN4O4
Molecular Weight:
310.6931
MDL Number:
MFCD00957447
IUPAC Name:
1-(pyridin-1-ium-1-ylmethyl)benzotriazole;perchlorate
InChI:
InChI=1S/C12H11N4.ClHO4/c1-4-8-15(9-5-1)10-16-12-7-3-2-6-11(12)13-14-16;2-1(3,4)5/h1-9H,10H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
MLVOWRUIYZAVFI-UHFFFAOYSA-M
SMILES:
c1cc[n+](cc1)Cn1nnc2c1cccc2.[O-][Cl](=O)(=O)=O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.047g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.694g/mol
Monoisotopic Mass:
310.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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