Home Other Building Blocks 6-Nitro-1,2,3a,7a-tetrahydroindazol-3-one

6-Nitro-1,2,3a,7a-tetrahydroindazol-3-one

CAS No.:
1845716-90-6
Catalog Number:
AG00I1I8
Molecular Formula:
C7H7N3O3
Molecular Weight:
181.1488
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$250
- +
5g
95%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG00I1I8
Chemical Name:
6-Nitro-1,2,3a,7a-tetrahydroindazol-3-one
CAS Number:
1845716-90-6
Molecular Formula:
C7H7N3O3
Molecular Weight:
181.1488
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
SMILES:
O=C1NNC2C1C=CC(=C2)[N+](=O)[O-]
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  
Properties