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Home > Nitro Compounds > 1185760-32-0
1185760-32-0 | 1-(tert-Butyl)-3-nitro-1h-1,2,4-triazole
CAS No: 1185760-32-0 Catalog No: AG00HEMH MDL No:
Product Description
Catalog Number:
AG00HEMH
Chemical Name:
1-(tert-Butyl)-3-nitro-1h-1,2,4-triazole
CAS Number:
1185760-32-0
IUPAC Name:
1-tert-butyl-3-nitro-1,2,4-triazole
InChI:
InChI=1S/C6H10N4O2/c1-6(2,3)9-4-7-5(8-9)10(11)12/h4H,1-3H3
InChI Key:
BPLNOVCERPNHDL-UHFFFAOYSA-N
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.172g/mol
Monoisotopic Mass:
170.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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