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14748-70-0 | 1H-Naphtho[1,8-de]-1,2,3-triazine, 1-ethyl-
CAS No: 14748-70-0 Catalog No: AG001EXC MDL No:
Product Description
Catalog Number:
AG001EXC
Chemical Name:
1H-Naphtho[1,8-de]-1,2,3-triazine, 1-ethyl-
CAS Number:
14748-70-0
Molecular Formula:
C12H11N3
Molecular Weight:
197.2358
IUPAC Name:
4-ethyl-2,3,4-triazatricyclo[7.3.1.05,13]trideca-1(12),2,5,7,9(13),10-hexaene
InChI:
InChI=1S/C12H11N3/c1-2-15-11-8-4-6-9-5-3-7-10(12(9)11)13-14-15/h3-8H,2H2,1H3
InChI Key:
CNRLHQMGPAARSU-UHFFFAOYSA-N
SMILES:
CCn1nnc2c3c1cccc3ccc2
NSC Number:
149067
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.241g/mol
Monoisotopic Mass:
197.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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