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869589-21-9 | 1,2,4,5-Tetrazine, 3-chloro-6-(1-naphthalenyloxy)-
CAS No: 869589-21-9 Catalog No: AG004L49 MDL No:
Product Description
Catalog Number:
AG004L49
Chemical Name:
1,2,4,5-Tetrazine, 3-chloro-6-(1-naphthalenyloxy)-
CAS Number:
869589-21-9
Molecular Formula:
C12H7ClN4O
Molecular Weight:
258.6632
IUPAC Name:
3-chloro-6-naphthalen-1-yloxy-1,2,4,5-tetrazine
InChI:
InChI=1S/C12H7ClN4O/c13-11-14-16-12(17-15-11)18-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChI Key:
KSUVEYAMZMAVKQ-UHFFFAOYSA-N
SMILES:
Clc1nnc(nn1)Oc1cccc2c1cccc2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.665g/mol
Monoisotopic Mass:
258.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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