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Home > Nitro Compounds > 1845716-90-6
1845716-90-6 | 6-Nitro-1,2,3a,7a-tetrahydroindazol-3-one
CAS No: 1845716-90-6 Catalog No: AG00I1I8 MDL No:MFCD28962760
Product Description
Catalog Number:
AG00I1I8
Chemical Name:
6-Nitro-1,2,3a,7a-tetrahydroindazol-3-one
CAS Number:
1845716-90-6
MDL Number:
MFCD28962760
IUPAC Name:
6-nitro-1,2,3a,7a-tetrahydroindazol-3-one
InChI:
InChI=1S/C7H7N3O3/c11-7-5-2-1-4(10(12)13)3-6(5)8-9-7/h1-3,5-6,8H,(H,9,11)
InChI Key:
MGKCSCRXZRIECA-UHFFFAOYSA-N
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.151g/mol
Monoisotopic Mass:
181.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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