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275-95-6 | Cycloheptatriazole
CAS No: 275-95-6 Catalog No: AG002TYC MDL No:
Product Description
Catalog Number:
AG002TYC
Chemical Name:
Cycloheptatriazole
CAS Number:
275-95-6
Molecular Formula:
C7H5N3
Molecular Weight:
131.1347
IUPAC Name:
cyclohepta[d]triazole
InChI:
InChI=1S/C7H5N3/c1-2-4-6-7(5-3-1)9-10-8-6/h1-5H
InChI Key:
BRWBPJCJRKBYQU-UHFFFAOYSA-N
SMILES:
c1ccc2c(cc1)nnn2
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.138g/mol
Monoisotopic Mass:
131.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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