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116510-28-2 | 1,2,4-Benzotriazin-3-amine, 6-methoxy-
CAS No: 116510-28-2 Catalog No: AG000CO6 MDL No:
Product Description
Catalog Number:
AG000CO6
Chemical Name:
1,2,4-Benzotriazin-3-amine, 6-methoxy-
CAS Number:
116510-28-2
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
IUPAC Name:
6-methoxy-1,2,4-benzotriazin-3-amine
InChI:
InChI=1S/C8H8N4O/c1-13-5-2-3-6-7(4-5)10-8(9)12-11-6/h2-4H,1H3,(H2,9,10,12)
InChI Key:
GAVBBCUJIKGSBJ-UHFFFAOYSA-N
SMILES:
COc1cc2nc(N)nnc2cc1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.07g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.179g/mol
Monoisotopic Mass:
176.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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