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1263425-79-1 | Carbamic acid, N-(6-chloro-1,2,4-triazolo[4,3-b]pyridazin-8-yl)-, 1,1-dimethylethyl ester
CAS No: 1263425-79-1 Catalog No: AG000SO8 MDL No:
Product Description
Catalog Number:
AG000SO8
Chemical Name:
Carbamic acid, N-(6-chloro-1,2,4-triazolo[4,3-b]pyridazin-8-yl)-, 1,1-dimethylethyl ester
CAS Number:
1263425-79-1
Molecular Formula:
C10H12ClN5O2
Molecular Weight:
269.6876
IUPAC Name:
tert-butyl N-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate
InChI:
InChI=1S/C10H12ClN5O2/c1-10(2,3)18-9(17)13-6-4-7(11)15-16-5-12-14-8(6)16/h4-5H,1-3H3,(H,13,17)
InChI Key:
VCYPUIIDDDBELX-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cc(Cl)nn2c1nnc2
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.689g/mol
Monoisotopic Mass:
269.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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