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TZ9

CAS No.:
1002789-86-7
Catalog Number:
AG008TNC
Molecular Formula:
C17H14N6O4
Molecular Weight:
366.3309
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$94
- +
5mg
≥98%
1 week
United States
$226
- +
10mg
99%
1 week
United States
$357
- +
50mg
99%
1 week
United States
$1207
- +
Product Description
Catalog Number:
AG008TNC
Chemical Name:
TZ9
CAS Number:
1002789-86-7
Molecular Formula:
C17H14N6O4
Molecular Weight:
366.3309
MDL Number:
MFCD28385849
IUPAC Name:
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate
InChI:
InChI=1S/C17H14N6O4/c18-16-20-14(21-17(22-16)19-12-4-2-1-3-5-12)10-27-15(24)11-6-8-13(9-7-11)23(25)26/h1-9H,10H2,(H3,18,19,20,21,22)
InChI Key:
RRRDZFQRNJTKHL-UHFFFAOYSA-N
SMILES:
Nc1nc(COC(=O)c2ccc(cc2)[N+](=O)[O-])nc(n1)Nc1ccccc1
Properties
Complexity:
502  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.108g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
366.337g/mol
Monoisotopic Mass:
366.108g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties